(3-methylcyclohexyl)-naphthalen-1-ylmethanol

C18H22O — CID 63411173

IUPAC(3-methylcyclohexyl)-naphthalen-1-ylmethanol
SMILESCC1CCCC(C(O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H22O/c1-13-6-4-9-15(12-13)18(19)17-11-5-8-14-7-2-3-10-16(14)17/h2-3,5,7-8,10-11,13,15,18-19H,4,6,9,12H2,1H3
InChIKeyPIKUBOFGNSUQBR-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.70
Rot. Bonds2

About (3-methylcyclohexyl)-naphthalen-1-ylmethanol

(3-methylcyclohexyl)-naphthalen-1-ylmethanol (PubChem CID 63411173) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-methylcyclohexyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-naphthalen-1-ylmethanol
PubChem CID63411173
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(3-methylcyclohexyl)-naphthalen-1-ylmethanol
SMILESCC1CCCC(C(O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H22O/c1-13-6-4-9-15(12-13)18(19)17-11-5-8-14-7-2-3-10-16(14)17/h2-3,5,7-8,10-11,13,15,18-19H,4,6,9,12H2,1H3
InChIKeyPIKUBOFGNSUQBR-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylcyclohexyl)-(2-propoxyphenyl)methanol
CID 104658787
cyclohex-3-en-1-yl(naphthalen-1-yl)methanol
CID 63900357
2-cyclohexyl-2-methoxy-1-naphthalen-1-ylethanol
CID 116756473
isoquinolin-4-yl-(3-methylcyclohexyl)methanamine
CID 63938819
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
CID 104968503
(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
CID 104504589
(2-bromo-6-fluorophenyl)-(3-methylcyclohexyl)methanol
CID 114885757
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-naphthalen-1-ylmethanol?
The IUPAC name of (3-methylcyclohexyl)-naphthalen-1-ylmethanol (CID 63411173) is (3-methylcyclohexyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (3-methylcyclohexyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (3-methylcyclohexyl)-naphthalen-1-ylmethanol is CC1CCCC(C(O)c2cccc3ccccc23)C1.
What is the InChIKey of (3-methylcyclohexyl)-naphthalen-1-ylmethanol?
The InChIKey is PIKUBOFGNSUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-6-4-9-15(12-13)18(19)17-11-5-8-14-7-2-3-10-16(14)17/h2-3,5,7-8,10-11,13,15,18-19H,4,6,9,12H2,1H3.
What are the key properties of (3-methylcyclohexyl)-naphthalen-1-ylmethanol?
(3-methylcyclohexyl)-naphthalen-1-ylmethanol has a molecular weight of 254.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 63411173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).