1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene

C74H62O14S4 — CID 158339825

IUPAC1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc12.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc2cc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)ccc2c1
InChIInChI=1S/C26H22O6S2.2C24H20O4S/c1-19-3-11-23(12-4-19)33(27,28)25-15-7-21(8-16-25)32-22-9-17-26(18-10-22)34(29,30)24-13-5-20(31-2)6-14-24;1-17-3-11-23(12-4-17)29(25,26)24-13-9-20(10-14-24)28-22-8-6-18-15-21(27-2)7-5-19(18)16-22;1-17-7-11-19(12-8-17)29(25,26)20-13-9-18(10-14-20)28-24-16-15-23(27-2)21-5-3-4-6-22(21)24/h3-18H,1-2H3;2*3-16H,1-2H3
InChIKeyGRAHHEZDIWBHBM-UHFFFAOYSA-N
MW1303.56 g/mol
LogP17.03
Rot. Bonds17

About 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene

1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene (PubChem CID 158339825) has the molecular formula C74H62O14S4 and a molecular weight of 1303.56 g/mol. Its IUPAC name is 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
PubChem CID158339825
Molecular FormulaC74H62O14S4
Molecular Weight1303.56 g/mol
Exact Mass1302.30
IUPAC Name1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc12.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc2cc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)ccc2c1
InChIInChI=1S/C26H22O6S2.2C24H20O4S/c1-19-3-11-23(12-4-19)33(27,28)25-15-7-21(8-16-25)32-22-9-17-26(18-10-22)34(29,30)24-13-5-20(31-2)6-14-24;1-17-3-11-23(12-4-17)29(25,26)24-13-9-20(10-14-24)28-22-8-6-18-15-21(27-2)7-5-19(18)16-22;1-17-7-11-19(12-8-17)29(25,26)20-13-9-18(10-14-20)28-24-16-15-23(27-2)21-5-3-4-6-22(21)24/h3-18H,1-2H3;2*3-16H,1-2H3
InChIKeyGRAHHEZDIWBHBM-UHFFFAOYSA-N
XLogP17.03
TPSA191.94 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.56
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene with MolForge

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Related Compounds

2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
1,5-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2,6-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2,7-bis[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;[4-[5-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[6-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[7-[4-(4-methylbenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 161302751
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
2-methoxy-5-[4-(4-methylphenyl)sulfonylphenoxy]benzoic acid
CID 130396430
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone
CID 161152440
methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
2-[4-[4-[4-[4-[4-(4-anthracen-2-yloxyphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]anthracene;ethane
CID 142421469
5-(4-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylphenoxy]benzenesulfonic acid
CID 135215271
[4-methoxy-5-(4-methoxyphenyl)-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenyl]methanol
CID 90323974
1-[4-(4-methylphenyl)sulfonylphenoxy]-4-[1-[4-(4-methylphenyl)sulfonylphenyl]propoxy]naphthalene
CID 70964781

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene (CID 158339825) is 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene is COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc12.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc2cc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)ccc2c1.
What is the InChIKey of 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene?
The InChIKey is GRAHHEZDIWBHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O6S2.2C24H20O4S/c1-19-3-11-23(12-4-19)33(27,28)25-15-7-21(8-16-25)32-22-9-17-26(18-10-22)34(29,30)24-13-5-20(31-2)6-14-24;1-17-3-11-23(12-4-17)29(25,26)24-13-9-20(10-14-24)28-22-8-6-18-15-21(27-2)7-5-19(18)16-22;1-17-7-11-19(12-8-17)29(25,26)20-13-9-18(10-14-20)28-24-16-15-23(27-2)21-5-3-4-6-22(21)24/h3-18H,1-2H3;2*3-16H,1-2H3.
What are the key properties of 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene?
1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene has a molecular weight of 1303.56 g/mol, XLogP of 17.03, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 158339825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).