2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol

C16H18O4S — CID 92524489

IUPAC2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol
SMILESCOc1cc([C@H](C)S(=O)(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C16H18O4S/c1-11-4-7-14(8-5-11)21(18,19)12(2)13-6-9-15(17)16(10-13)20-3/h4-10,12,17H,1-3H3/t12-/m0/s1
InChIKeyWTGVEADLMJHPIC-LBPRGKRZSA-N
MW306.38 g/mol
LogP3.24
Rot. Bonds4

About 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol

2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol (PubChem CID 92524489) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol
PubChem CID92524489
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol
SMILESCOc1cc([C@H](C)S(=O)(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C16H18O4S/c1-11-4-7-14(8-5-11)21(18,19)12(2)13-6-9-15(17)16(10-13)20-3/h4-10,12,17H,1-3H3/t12-/m0/s1
InChIKeyWTGVEADLMJHPIC-LBPRGKRZSA-N
XLogP3.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-(4-methylsulfonylphenyl)phenol
CID 53221054
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
calcium;hydride;4-hydroxy-3-methoxybenzenesulfonic acid
CID 174743804
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
1,2,3-trimethoxy-5-[(4-methylphenyl)sulfonyl-(2,4,5-trimethoxyphenyl)methyl]benzene
CID 102162709
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol?
The IUPAC name of 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol (CID 92524489) is 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol?
The canonical SMILES for 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol is COc1cc([C@H](C)S(=O)(=O)c2ccc(C)cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol?
The InChIKey is WTGVEADLMJHPIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18O4S/c1-11-4-7-14(8-5-11)21(18,19)12(2)13-6-9-15(17)16(10-13)20-3/h4-10,12,17H,1-3H3/t12-/m0/s1.
What are the key properties of 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol?
2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol has a molecular weight of 306.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol is sourced from PubChem (CID 92524489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).