[4-(3-methoxyphenyl)cyclohexyl]carbamic acid

C14H19NO3 — CID 69226808

IUPAC[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
SMILESCOc1cccc(C2CCC(NC(=O)O)CC2)c1
InChIInChI=1S/C14H19NO3/c1-18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)15-14(16)17/h2-4,9-10,12,15H,5-8H2,1H3,(H,16,17)
InChIKeyORNDRXDOHSVDSS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.99
Rot. Bonds3

About [4-(3-methoxyphenyl)cyclohexyl]carbamic acid

[4-(3-methoxyphenyl)cyclohexyl]carbamic acid (PubChem CID 69226808) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
PubChem CID69226808
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
SMILESCOc1cccc(C2CCC(NC(=O)O)CC2)c1
InChIInChI=1S/C14H19NO3/c1-18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)15-14(16)17/h2-4,9-10,12,15H,5-8H2,1H3,(H,16,17)
InChIKeyORNDRXDOHSVDSS-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70274289
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CID 169265135
1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea
CID 45368524
1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256
N-cyclopropyl-3-methoxybenzamide
CID 900156
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid
CID 82289572
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(3-methoxyphenyl)cyclohexyl]carbamic acid (CID 69226808) is [4-(3-methoxyphenyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(3-methoxyphenyl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(3-methoxyphenyl)cyclohexyl]carbamic acid is COc1cccc(C2CCC(NC(=O)O)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)cyclohexyl]carbamic acid?
The InChIKey is ORNDRXDOHSVDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-4-2-3-11(9-13)10-5-7-12(8-6-10)15-14(16)17/h2-4,9-10,12,15H,5-8H2,1H3,(H,16,17).
What are the key properties of [4-(3-methoxyphenyl)cyclohexyl]carbamic acid?
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid has a molecular weight of 249.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 69226808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).