3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid

C19H22O2 — CID 65393655

IUPAC3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(Cc2cccc3ccccc23)(C(=O)O)C1
InChIInChI=1S/C19H22O2/c1-14-6-5-11-19(12-14,18(20)21)13-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,20,21)
InChIKeyVVUYNDGLUSAHQL-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.66
Rot. Bonds3

About 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid

3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 65393655) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID65393655
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(Cc2cccc3ccccc23)(C(=O)O)C1
InChIInChI=1S/C19H22O2/c1-14-6-5-11-19(12-14,18(20)21)13-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,20,21)
InChIKeyVVUYNDGLUSAHQL-UHFFFAOYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65402725
1-[(2,3-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400694
1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65392622
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65393451
1-[(3,4-dichlorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65394071
4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63407888
3-methyl-1-(2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 79425636
3-ethyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-ol
CID 65149221
1-ethylnaphthalene;methylcyclopropane
CID 142069670
3-cyclopropyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-ol
CID 65154003
1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65401902
2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398043

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid (CID 65393655) is 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid is CC1CCCC(Cc2cccc3ccccc23)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is VVUYNDGLUSAHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-6-5-11-19(12-14,18(20)21)13-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14H,5-6,11-13H2,1H3,(H,20,21).
What are the key properties of 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid?
3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65393655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).