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

C15H16O — CID 85312349

IUPAC2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
SMILESC=CC(C)C(O)c1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14/h3-11,15-16H,1H2,2H3
InChIKeyXZXKDARIFZCXFG-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.70
Rot. Bonds3

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

2-methyl-1-naphthalen-1-ylbut-3-en-1-ol (PubChem CID 85312349) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
PubChem CID85312349
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
SMILESC=CC(C)C(O)c1cccc2ccccc12
InChIInChI=1S/C15H16O/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14/h3-11,15-16H,1H2,2H3
InChIKeyXZXKDARIFZCXFG-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
(2S,3S)-3-hydroxy-2,3-dinaphthalen-1-ylpropanenitrile
CID 102509549
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one
CID 14387515
butane;1-propan-2-ylnaphthalene
CID 157253186
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol?
The IUPAC name of 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol (CID 85312349) is 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol.
What is the SMILES notation for 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol?
The canonical SMILES for 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol is C=CC(C)C(O)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol?
The InChIKey is XZXKDARIFZCXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14/h3-11,15-16H,1H2,2H3.
What are the key properties of 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol?
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-naphthalen-1-ylbut-3-en-1-ol is sourced from PubChem (CID 85312349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).