(4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate

C24H24O7S — CID 142526940

IUPAC(4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate
SMILESCOc1ccc(COC(=O)c2ccc(OCc3ccc(OC)cc3)c(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C24H24O7S/c1-28-20-9-4-17(5-10-20)15-30-22-13-8-19(14-23(22)32(3,26)27)24(25)31-16-18-6-11-21(29-2)12-7-18/h4-14H,15-16H2,1-3H3
InChIKeyNCVFGQVNKXUNMQ-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.04
Rot. Bonds9

About (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate

(4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate (PubChem CID 142526940) has the molecular formula C24H24O7S and a molecular weight of 456.52 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate
PubChem CID142526940
Molecular FormulaC24H24O7S
Molecular Weight456.52 g/mol
Exact Mass456.12
IUPAC Name(4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate
SMILESCOc1ccc(COC(=O)c2ccc(OCc3ccc(OC)cc3)c(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C24H24O7S/c1-28-20-9-4-17(5-10-20)15-30-22-13-8-19(14-23(22)32(3,26)27)24(25)31-16-18-6-11-21(29-2)12-7-18/h4-14H,15-16H2,1-3H3
InChIKeyNCVFGQVNKXUNMQ-UHFFFAOYSA-N
XLogP4.04
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
[4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylphenyl]methanol
CID 142526629
methyl 3-methylsulfonyl-4-(4-phenylmethoxyphenoxy)benzoate
CID 23359363
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
(3-methylsulfonyl-4-phenylmethoxyphenyl) benzoate
CID 57018899
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
(4-tert-butylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973287
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate?
The IUPAC name of (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate (CID 142526940) is (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate is COc1ccc(COC(=O)c2ccc(OCc3ccc(OC)cc3)c(S(C)(=O)=O)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate?
The InChIKey is NCVFGQVNKXUNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O7S/c1-28-20-9-4-17(5-10-20)15-30-22-13-8-19(14-23(22)32(3,26)27)24(25)31-16-18-6-11-21(29-2)12-7-18/h4-14H,15-16H2,1-3H3.
What are the key properties of (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate?
(4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate has a molecular weight of 456.52 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate is sourced from PubChem (CID 142526940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).