1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid

C17H24O3 — CID 80611133

IUPAC1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
SMILESCOc1cccc(CC2(C(=O)O)CCCCCCC2)c1
InChIInChI=1S/C17H24O3/c1-20-15-9-7-8-14(12-15)13-17(16(18)19)10-5-3-2-4-6-11-17/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,19)
InChIKeyMWANBGFZEYQUCG-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.05
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid

1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid (PubChem CID 80611133) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
PubChem CID80611133
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
SMILESCOc1cccc(CC2(C(=O)O)CCCCCCC2)c1
InChIInChI=1S/C17H24O3/c1-20-15-9-7-8-14(12-15)13-17(16(18)19)10-5-3-2-4-6-11-17/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,19)
InChIKeyMWANBGFZEYQUCG-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425480
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544351
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid (CID 80611133) is 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid is COc1cccc(CC2(C(=O)O)CCCCCCC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid?
The InChIKey is MWANBGFZEYQUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-20-15-9-7-8-14(12-15)13-17(16(18)19)10-5-3-2-4-6-11-17/h7-9,12H,2-6,10-11,13H2,1H3,(H,18,19).
What are the key properties of 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid?
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 80611133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).