1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid

C18H26O3 — CID 65425480

IUPAC1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(Cc2cccc(OC)c2)(C(=O)O)CC1
InChIInChI=1S/C18H26O3/c1-3-5-14-8-10-18(11-9-14,17(19)20)13-15-6-4-7-16(12-15)21-2/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3,(H,19,20)
InChIKeyFBJMETFOYMZRDL-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.30
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid

1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid (PubChem CID 65425480) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
PubChem CID65425480
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(Cc2cccc(OC)c2)(C(=O)O)CC1
InChIInChI=1S/C18H26O3/c1-3-5-14-8-10-18(11-9-14,17(19)20)13-15-6-4-7-16(12-15)21-2/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3,(H,19,20)
InChIKeyFBJMETFOYMZRDL-UHFFFAOYSA-N
XLogP4.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65423354
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-[(3-bromophenyl)methyl]-4-butylcyclohexane-1-carboxylic acid
CID 63403119
1-[(4-bromophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65424126
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
1-[(4-chlorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425479
1-[(3-chlorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65392667
1-[(2,3-difluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65423548
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425291
4-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 102879847
4-butyl-1-(pyridin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 79426310

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid (CID 65425480) is 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(Cc2cccc(OC)c2)(C(=O)O)CC1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is FBJMETFOYMZRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-5-14-8-10-18(11-9-14,17(19)20)13-15-6-4-7-16(12-15)21-2/h4,6-7,12,14H,3,5,8-11,13H2,1-2H3,(H,19,20).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid?
1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 290.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 65425480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).