4-cyclohexyl-3-ethoxybenzoic acid

C15H20O3 — CID 163304407

IUPAC4-cyclohexyl-3-ethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)ccc1C1CCCCC1
InChIInChI=1S/C15H20O3/c1-2-18-14-10-12(15(16)17)8-9-13(14)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3,(H,16,17)
InChIKeyPCWZYIHTERJVQR-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.83
Rot. Bonds4

About 4-cyclohexyl-3-ethoxybenzoic acid

4-cyclohexyl-3-ethoxybenzoic acid (PubChem CID 163304407) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-cyclohexyl-3-ethoxybenzoic acid.

Molecular Properties

Compound Name4-cyclohexyl-3-ethoxybenzoic acid
PubChem CID163304407
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-cyclohexyl-3-ethoxybenzoic acid
SMILESCCOc1cc(C(=O)O)ccc1C1CCCCC1
InChIInChI=1S/C15H20O3/c1-2-18-14-10-12(15(16)17)8-9-13(14)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3,(H,16,17)
InChIKeyPCWZYIHTERJVQR-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
3-cyclohexyl-4-hydroxybenzoic acid
CID 19884474
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
1-[4-(2-ethoxy-4-ethylphenyl)piperidin-1-yl]ethanone
CID 18751552
3-cyclopentyloxy-4-ethylbenzoic acid
CID 54073222
4-cyclohexyl-5-ethoxy-2-methylphenol
CID 59929209
2-cyclopentylterephthalic acid
CID 174865784
ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate
CID 20515140
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
2-[[4-cyclopropyl-3-(cyclopropylmethoxy)benzoyl]amino]-2-ethylbutanoic acid
CID 129216394
4-cyclohexyl-3,5-dimethoxybenzoic acid
CID 170351500

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-ethoxybenzoic acid?
The IUPAC name of 4-cyclohexyl-3-ethoxybenzoic acid (CID 163304407) is 4-cyclohexyl-3-ethoxybenzoic acid.
What is the SMILES notation for 4-cyclohexyl-3-ethoxybenzoic acid?
The canonical SMILES for 4-cyclohexyl-3-ethoxybenzoic acid is CCOc1cc(C(=O)O)ccc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-ethoxybenzoic acid?
The InChIKey is PCWZYIHTERJVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-18-14-10-12(15(16)17)8-9-13(14)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-cyclohexyl-3-ethoxybenzoic acid?
4-cyclohexyl-3-ethoxybenzoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-ethoxybenzoic acid is sourced from PubChem (CID 163304407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).