(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol

C12H16O — CID 14114269

IUPAC(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
SMILESCC1(CO)CCCc2ccccc21
InChIInChI=1S/C12H16O/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,13H,4,6,8-9H2,1H3
InChIKeyBVOXKRPQUJYDDZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.27
Rot. Bonds1

About (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol

(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol (PubChem CID 14114269) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
PubChem CID14114269
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
SMILESCC1(CO)CCCc2ccccc21
InChIInChI=1S/C12H16O/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,13H,4,6,8-9H2,1H3
InChIKeyBVOXKRPQUJYDDZ-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The IUPAC name of (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol (CID 14114269) is (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol.
What is the SMILES notation for (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The canonical SMILES for (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol is CC1(CO)CCCc2ccccc21.
What is the InChIKey of (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The InChIKey is BVOXKRPQUJYDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,13H,4,6,8-9H2,1H3.
What are the key properties of (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol has a molecular weight of 176.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol is sourced from PubChem (CID 14114269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).