2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid

C17H24O3 — CID 81020565

IUPAC2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(c2cccc(OC)c2)C1
InChIInChI=1S/C17H24O3/c1-3-5-12-8-9-15(17(18)19)16(10-12)13-6-4-7-14(11-13)20-2/h4,6-7,11-12,15-16H,3,5,8-10H2,1-2H3,(H,18,19)
InChIKeyYSEOEFPVMKLWRY-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid

2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 81020565) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
PubChem CID81020565
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(c2cccc(OC)c2)C1
InChIInChI=1S/C17H24O3/c1-3-5-12-8-9-15(17(18)19)16(10-12)13-6-4-7-14(11-13)20-2/h4,6-7,11-12,15-16H,3,5,8-10H2,1-2H3,(H,18,19)
InChIKeyYSEOEFPVMKLWRY-UHFFFAOYSA-N
XLogP4.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
3-(3-methoxyphenyl)oxane-4-carboxylic acid
CID 84798105
2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020573
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
4-(3-methoxyphenyl)oxane-3-carboxylic acid
CID 84798102
4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid
CID 116546370
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
(3R,4S)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962565
(3R,4R)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962564
(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979232
(2S,3S)-2-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 97324073
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209130

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid (CID 81020565) is 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(c2cccc(OC)c2)C1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is YSEOEFPVMKLWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-5-12-8-9-15(17(18)19)16(10-12)13-6-4-7-14(11-13)20-2/h4,6-7,11-12,15-16H,3,5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid?
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).