3-cyclohexyl-4-hydroxybenzoic acid

C13H16O3 — CID 19884474

IUPAC3-cyclohexyl-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C13H16O3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)
InChIKeyHINSTNAJIHVPOM-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.14
Rot. Bonds2

About 3-cyclohexyl-4-hydroxybenzoic acid

3-cyclohexyl-4-hydroxybenzoic acid (PubChem CID 19884474) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-cyclohexyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-cyclohexyl-4-hydroxybenzoic acid
PubChem CID19884474
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-cyclohexyl-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(C2CCCCC2)c1
InChIInChI=1S/C13H16O3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)
InChIKeyHINSTNAJIHVPOM-UHFFFAOYSA-N
XLogP3.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-2-cyclohexylphenol
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4-amino-2-cyclohexylphenol
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2-cyclohexyl-4-nitrosophenol
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4-tert-butyl-2-cyclohexylphenol;methane
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3-cyclohexyl-2,6-dihydroxybenzoic acid
CID 125490801
3-cycloheptyl-4-hydroxybenzaldehyde
CID 155670668
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
CID 174448388
4-cyclohexyl-3-ethoxybenzoic acid
CID 163304407
1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-hydroxybenzoic acid?
The IUPAC name of 3-cyclohexyl-4-hydroxybenzoic acid (CID 19884474) is 3-cyclohexyl-4-hydroxybenzoic acid.
What is the SMILES notation for 3-cyclohexyl-4-hydroxybenzoic acid?
The canonical SMILES for 3-cyclohexyl-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-4-hydroxybenzoic acid?
The InChIKey is HINSTNAJIHVPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16).
What are the key properties of 3-cyclohexyl-4-hydroxybenzoic acid?
3-cyclohexyl-4-hydroxybenzoic acid has a molecular weight of 220.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-hydroxybenzoic acid is sourced from PubChem (CID 19884474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).