(3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane

C35H56O2P2 — CID 144514518

IUPAC(3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane
SMILESCC.CC.CC.CC/C=C1\CC1C.COc1ccccc1-c1c(OC)cccc1Pc1cc(C)cc(C)c1.P
InChIInChI=1S/C22H23O2P.C7H12.3C2H6.H3P/c1-15-12-16(2)14-17(13-15)25-21-11-7-10-20(24-4)22(21)18-8-5-6-9-19(18)23-3;1-3-4-7-5-6(7)2;3*1-2;/h5-14,25H,1-4H3;4,6H,3,5H2,1-2H3;3*1-2H3;1H3/b;7-4+;;;;
InChIKeyBPSXADPHWKLQKI-FYWLSFJDSA-N
MW570.78 g/mol
LogP10.12
Rot. Bonds6

About (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane

(3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane (PubChem CID 144514518) has the molecular formula C35H56O2P2 and a molecular weight of 570.78 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane
PubChem CID144514518
Molecular FormulaC35H56O2P2
Molecular Weight570.78 g/mol
Exact Mass570.38
IUPAC Name(3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane
SMILESCC.CC.CC.CC/C=C1\CC1C.COc1ccccc1-c1c(OC)cccc1Pc1cc(C)cc(C)c1.P
InChIInChI=1S/C22H23O2P.C7H12.3C2H6.H3P/c1-15-12-16(2)14-17(13-15)25-21-11-7-10-20(24-4)22(21)18-8-5-6-9-19(18)23-3;1-3-4-7-5-6(7)2;3*1-2;/h5-14,25H,1-4H3;4,6H,3,5H2,1-2H3;3*1-2H3;1H3/b;7-4+;;;;
InChIKeyBPSXADPHWKLQKI-FYWLSFJDSA-N
XLogP10.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane
CID 142525801
bis(3,5-dimethylphenyl)phosphane;bis(2-methoxyphenyl)phosphane;bis(4-methylphenyl)phosphane;bis(2,4,6-trimethylphenyl)phosphane
CID 160804769
2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene
CID 167525314
5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene
CID 167525299
2-[2-[4-(2-methoxyphenyl)phenyl]phosphanylnaphthalen-1-yl]phenol
CID 56975350
bis(2-methoxyphenyl)phosphane
CID 11679785
1,3-difluoro-2-(2-methoxyphenyl)benzene;isothiocyanic acid
CID 175606865
3-chloro-5-(2-methoxyphenyl)phenol
CID 53221223
4-(2-methoxyphenyl)-2-phenylthiophene
CID 102031786
2-(2-dicyclohexylphosphorylphenyl)-1-methoxy-3-methylbenzene
CID 158416799
lithium;hydride;(2-methoxyphenyl)-phenylphosphane
CID 175008654

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane?
The IUPAC name of (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane (CID 144514518) is (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane.
What is the SMILES notation for (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane?
The canonical SMILES for (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane is CC.CC.CC.CC/C=C1\CC1C.COc1ccccc1-c1c(OC)cccc1Pc1cc(C)cc(C)c1.P.
What is the InChIKey of (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane?
The InChIKey is BPSXADPHWKLQKI-FYWLSFJDSA-N. The full InChI is InChI=1S/C22H23O2P.C7H12.3C2H6.H3P/c1-15-12-16(2)14-17(13-15)25-21-11-7-10-20(24-4)22(21)18-8-5-6-9-19(18)23-3;1-3-4-7-5-6(7)2;3*1-2;/h5-14,25H,1-4H3;4,6H,3,5H2,1-2H3;3*1-2H3;1H3/b;7-4+;;;;.
What are the key properties of (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane?
(3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane has a molecular weight of 570.78 g/mol, XLogP of 10.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[3-methoxy-2-(2-methoxyphenyl)phenyl]phosphane;ethane;(2E)-1-methyl-2-propylidenecyclopropane;phosphane is sourced from PubChem (CID 144514518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).