4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid

C14H18O4 — CID 114451068

IUPAC4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCc2cccc(O)c2)CC1
InChIInChI=1S/C14H18O4/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-3,8,11,13,15H,4-7,9H2,(H,16,17)
InChIKeyWZUGPPJSSLEUJI-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.55
Rot. Bonds4

About 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid

4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid (PubChem CID 114451068) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid
PubChem CID114451068
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCc2cccc(O)c2)CC1
InChIInChI=1S/C14H18O4/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-3,8,11,13,15H,4-7,9H2,(H,16,17)
InChIKeyWZUGPPJSSLEUJI-UHFFFAOYSA-N
XLogP2.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-methoxyphenyl)methoxy]cyclohexane-1-carboxylic acid
CID 114451056
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
CID 114450493
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
3-[(4-aminocyclohexyl)oxymethyl]benzamide
CID 62807395
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid (CID 114451068) is 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OCc2cccc(O)c2)CC1.
What is the InChIKey of 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is WZUGPPJSSLEUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-3,8,11,13,15H,4-7,9H2,(H,16,17).
What are the key properties of 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid?
4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenyl)methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).