2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid

C14H17ClO3 — CID 68853928

IUPAC2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
SMILESO=C(O)C(c1cccc(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C14H17ClO3/c15-11-6-4-5-10(9-11)12(13(16)17)14(18)7-2-1-3-8-14/h4-6,9,12,18H,1-3,7-8H2,(H,16,17)
InChIKeyOANNCEVIYONFOC-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.20
Rot. Bonds3

About 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid

2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid (PubChem CID 68853928) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
PubChem CID68853928
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
SMILESO=C(O)C(c1cccc(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C14H17ClO3/c15-11-6-4-5-10(9-11)12(13(16)17)14(18)7-2-1-3-8-14/h4-6,9,12,18H,1-3,7-8H2,(H,16,17)
InChIKeyOANNCEVIYONFOC-UHFFFAOYSA-N
XLogP3.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide
CID 14739989
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 129386467
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 91204468
1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
CID 121281370
(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 129389781
2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid
CID 68855874
(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid
CID 125466602
2-(3-bromo-4-methoxyphenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68854196
1-[(3-chlorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79136424
2-(3,4-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 141116352
tert-butyl N-[(3S)-1-[(2S)-2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 86599053
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid (CID 68853928) is 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid is O=C(O)C(c1cccc(Cl)c1)C1(O)CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid?
The InChIKey is OANNCEVIYONFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-11-6-4-5-10(9-11)12(13(16)17)14(18)7-2-1-3-8-14/h4-6,9,12,18H,1-3,7-8H2,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid?
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid has a molecular weight of 268.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid is sourced from PubChem (CID 68853928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).