3-methyl-2-naphthalen-1-ylbut-3-en-1-ol

C15H16O — CID 10632339

IUPAC3-methyl-2-naphthalen-1-ylbut-3-en-1-ol
SMILESC=C(C)C(CO)c1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-11(2)15(10-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-16H,1,10H2,2H3
InChIKeyYTWFYUHCZFEIDF-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.49
Rot. Bonds3

About 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol

3-methyl-2-naphthalen-1-ylbut-3-en-1-ol (PubChem CID 10632339) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol.

Molecular Properties

Compound Name3-methyl-2-naphthalen-1-ylbut-3-en-1-ol
PubChem CID10632339
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name3-methyl-2-naphthalen-1-ylbut-3-en-1-ol
SMILESC=C(C)C(CO)c1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-11(2)15(10-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-16H,1,10H2,2H3
InChIKeyYTWFYUHCZFEIDF-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
CID 169444620
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
phenyl 3-hydroxy-2-naphthalen-1-ylpropanoate
CID 174770783
2-naphthalen-1-ylhexan-1-ol
CID 57029231
(1S)-4-methyl-1-naphthalen-1-ylpent-4-en-2-yn-1-ol
CID 71614600
N-(2-hydroxy-1-naphthalen-1-ylethyl)-N-methylacetamide
CID 116860926
1-[1-hydroperoxy-2-(trideuteriomethyl)prop-2-enyl]naphthalene
CID 11053105
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538
4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol
CID 15595616
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol?
The IUPAC name of 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol (CID 10632339) is 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol.
What is the SMILES notation for 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol?
The canonical SMILES for 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol is C=C(C)C(CO)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol?
The InChIKey is YTWFYUHCZFEIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-11(2)15(10-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15-16H,1,10H2,2H3.
What are the key properties of 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol?
3-methyl-2-naphthalen-1-ylbut-3-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-naphthalen-1-ylbut-3-en-1-ol is sourced from PubChem (CID 10632339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).