2-methyl-3-naphthalen-2-ylpropane-1,1-diol

C14H16O2 — CID 20647932

IUPAC2-methyl-3-naphthalen-2-ylpropane-1,1-diol
SMILESCC(Cc1ccc2ccccc2c1)C(O)O
InChIInChI=1S/C14H16O2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10,14-16H,8H2,1H3
InChIKeyDBGRQJMQLJMHRH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.33
Rot. Bonds3

About 2-methyl-3-naphthalen-2-ylpropane-1,1-diol

2-methyl-3-naphthalen-2-ylpropane-1,1-diol (PubChem CID 20647932) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-3-naphthalen-2-ylpropane-1,1-diol.

Molecular Properties

Compound Name2-methyl-3-naphthalen-2-ylpropane-1,1-diol
PubChem CID20647932
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-methyl-3-naphthalen-2-ylpropane-1,1-diol
SMILESCC(Cc1ccc2ccccc2c1)C(O)O
InChIInChI=1S/C14H16O2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10,14-16H,8H2,1H3
InChIKeyDBGRQJMQLJMHRH-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
1-naphthalen-2-yl-3-propan-2-yloxypropan-2-ol
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1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
1-anthracen-2-ylbutan-2-ol
CID 141488114
2-(2-nitropropyl)naphthalene
CID 102503616
3-methyl-2-(naphthalen-2-ylmethyl)butanenitrile
CID 116931777
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295
1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
CID 129056725
3-methyl-4-[3-(3-methyl-2-oxobutyl)phenyl]-1-naphthalen-2-ylbutan-2-one
CID 166677264
2-(2-chlorobutyl)naphthalene
CID 21490588
1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
CID 105117200
2-(2-propan-2-ylpentyl)naphthalene
CID 173217624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-naphthalen-2-ylpropane-1,1-diol?
The IUPAC name of 2-methyl-3-naphthalen-2-ylpropane-1,1-diol (CID 20647932) is 2-methyl-3-naphthalen-2-ylpropane-1,1-diol.
What is the SMILES notation for 2-methyl-3-naphthalen-2-ylpropane-1,1-diol?
The canonical SMILES for 2-methyl-3-naphthalen-2-ylpropane-1,1-diol is CC(Cc1ccc2ccccc2c1)C(O)O.
What is the InChIKey of 2-methyl-3-naphthalen-2-ylpropane-1,1-diol?
The InChIKey is DBGRQJMQLJMHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-7,9-10,14-16H,8H2,1H3.
What are the key properties of 2-methyl-3-naphthalen-2-ylpropane-1,1-diol?
2-methyl-3-naphthalen-2-ylpropane-1,1-diol has a molecular weight of 216.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-naphthalen-2-ylpropane-1,1-diol is sourced from PubChem (CID 20647932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).