(2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid

C15H22O3S — CID 129386650

IUPAC(2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid
SMILESCCCCCC[C@@H](Sc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H22O3S/c1-3-4-5-6-7-14(15(16)17)19-13-10-8-12(18-2)9-11-13/h8-11,14H,3-7H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyUSRJQRSEBVSIEQ-CQSZACIVSA-N
MW282.41 g/mol
LogP4.21
Rot. Bonds9

About (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid

(2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid (PubChem CID 129386650) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid
PubChem CID129386650
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name(2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid
SMILESCCCCCC[C@@H](Sc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H22O3S/c1-3-4-5-6-7-14(15(16)17)19-13-10-8-12(18-2)9-11-13/h8-11,14H,3-7H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyUSRJQRSEBVSIEQ-CQSZACIVSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid 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-(4-methoxyphenyl)sulfanyl-7-phenylheptanoic acid
CID 23047903
2-phenylsulfanyltetradecanoic acid
CID 15555175
2-phenylsulfanylheptanoic acid
CID 57359587
4-amino-2-(4-methoxyphenyl)sulfanylbutanoic acid
CID 64695649
2-[4-(pyridin-4-ylamino)phenyl]sulfanyloctanoic acid
CID 18416737
2-naphthalen-2-ylsulfanylhexanoic acid
CID 113373513
2-(4-piperidin-1-ylphenyl)sulfanyloctanoic acid
CID 18431257
2-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]sulfanyldecanoic acid
CID 54339448
2-(3,5-ditert-butylphenyl)sulfanyloctanoic acid
CID 21388438
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
7-(4-fluorophenoxy)-2-(4-methylphenyl)sulfanylheptanoic acid
CID 19878707
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid?
The IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid (CID 129386650) is (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid is CCCCCC[C@@H](Sc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid?
The InChIKey is USRJQRSEBVSIEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O3S/c1-3-4-5-6-7-14(15(16)17)19-13-10-8-12(18-2)9-11-13/h8-11,14H,3-7H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid?
(2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid has a molecular weight of 282.41 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)sulfanyloctanoic acid is sourced from PubChem (CID 129386650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).