2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid

C19H20O2S — CID 71364363

IUPAC2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Sc1ccc(C2CCCC2)cc1
InChIInChI=1S/C19H20O2S/c20-19(21)13-16-7-3-4-8-18(16)22-17-11-9-15(10-12-17)14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6,13H2,(H,20,21)
InChIKeyLJSODWIBJUIQCJ-UHFFFAOYSA-N
MW312.43 g/mol
LogP5.12
Rot. Bonds5

About 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid

2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid (PubChem CID 71364363) has the molecular formula C19H20O2S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid
PubChem CID71364363
Molecular FormulaC19H20O2S
Molecular Weight312.43 g/mol
Exact Mass312.12
IUPAC Name2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Sc1ccc(C2CCCC2)cc1
InChIInChI=1S/C19H20O2S/c20-19(21)13-16-7-3-4-8-18(16)22-17-11-9-15(10-12-17)14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6,13H2,(H,20,21)
InChIKeyLJSODWIBJUIQCJ-UHFFFAOYSA-N
XLogP5.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
2-(4-cycloheptylphenyl)acetic acid
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2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid
CID 23967352
3-(4-cyclohexylphenyl)sulfanylpropanoic acid
CID 116852839
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986
2-[1-(4-cyclohexylphenyl)ethylsulfanyl]acetic acid
CID 21393949
2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
CID 15125729
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
cyclopentylbenzene;iron
CID 158512704
tris(4-cyclohexylphenyl)-phenacylphosphanium
CID 139734395
4-[2-(aminomethyl)phenyl]sulfanylphenol;(Z)-but-2-enedioic acid
CID 127021148
(2R)-2-bromo-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100523970

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid?
The IUPAC name of 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid (CID 71364363) is 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid?
The canonical SMILES for 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid is O=C(O)Cc1ccccc1Sc1ccc(C2CCCC2)cc1.
What is the InChIKey of 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid?
The InChIKey is LJSODWIBJUIQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2S/c20-19(21)13-16-7-3-4-8-18(16)22-17-11-9-15(10-12-17)14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6,13H2,(H,20,21).
What are the key properties of 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid?
2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid has a molecular weight of 312.43 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclopentylphenyl)sulfanylphenyl]acetic acid is sourced from PubChem (CID 71364363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).