[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium

C97H101O13P3S5U — CID 158582042

IUPAC[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium
SMILESCOc1c(C)cc(C)cc1C.COc1ccc(C(=O)c2ccc(C)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.CSc1ccc(C)cc1.P=S.PP=S.[U]
InChIInChI=1S/C29H28O4S.C21H18O3.C15H14O2.C14H14O3S.C10H14O.C8H10S.H2P2S.HPS.U/c1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-15-3-5-16(6-4-15)21(22)17-7-9-19(10-8-17)24-20-13-11-18(23-2)12-14-20;1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13;1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14;1-7-5-8(2)10(11-4)9(3)6-7;1-7-3-5-8(9-2)6-4-7;1-2-3;1-2;/h5-20H,1-4H3;3-14H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;5-6H,1-4H3;3-6H,1-2H3;1H2;1H;
InChIKeyKXJYCNIMWRGNDO-UHFFFAOYSA-N
MW1966.15 g/mol
LogP25.17
Rot. Bonds20

About [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium

[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium (PubChem CID 158582042) has the molecular formula C97H101O13P3S5U and a molecular weight of 1966.15 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium
PubChem CID158582042
Molecular FormulaC97H101O13P3S5U
Molecular Weight1966.15 g/mol
Exact Mass1964.56
IUPAC Name[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium
SMILESCOc1c(C)cc(C)cc1C.COc1ccc(C(=O)c2ccc(C)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.CSc1ccc(C)cc1.P=S.PP=S.[U]
InChIInChI=1S/C29H28O4S.C21H18O3.C15H14O2.C14H14O3S.C10H14O.C8H10S.H2P2S.HPS.U/c1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-15-3-5-16(6-4-15)21(22)17-7-9-19(10-8-17)24-20-13-11-18(23-2)12-14-20;1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13;1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14;1-7-5-8(2)10(11-4)9(3)6-7;1-7-3-5-8(9-2)6-4-7;1-2-3;1-2;/h5-20H,1-4H3;3-14H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;5-6H,1-4H3;3-6H,1-2H3;1H2;1H;
InChIKeyKXJYCNIMWRGNDO-UHFFFAOYSA-N
XLogP25.17
TPSA167.03 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms119
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001966.15
LogP ≤ 525.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium?
The IUPAC name of [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium (CID 158582042) is [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium.
What is the SMILES notation for [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium?
The canonical SMILES for [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium is COc1c(C)cc(C)cc1C.COc1ccc(C(=O)c2ccc(C)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.CSc1ccc(C)cc1.P=S.PP=S.[U].
What is the InChIKey of [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium?
The InChIKey is KXJYCNIMWRGNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4S.C21H18O3.C15H14O2.C14H14O3S.C10H14O.C8H10S.H2P2S.HPS.U/c1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-15-3-5-16(6-4-15)21(22)17-7-9-19(10-8-17)24-20-13-11-18(23-2)12-14-20;1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13;1-11-3-7-13(8-4-11)18(15,16)14-9-5-12(17-2)6-10-14;1-7-5-8(2)10(11-4)9(3)6-7;1-7-3-5-8(9-2)6-4-7;1-2-3;1-2;/h5-20H,1-4H3;3-14H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;5-6H,1-4H3;3-6H,1-2H3;1H2;1H;.
What are the key properties of [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium?
[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium has a molecular weight of 1966.15 g/mol, XLogP of 25.17, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-(4-methoxyphenyl)sulfonyl-4-methylbenzene;2-methoxy-1,3,5-trimethylbenzene;1-methyl-4-methylsulfanylbenzene;sulfanylidenephosphane;thiophosphorosophosphane;uranium is sourced from PubChem (CID 158582042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).