(4-prop-2-enylnaphthalen-1-yl)methanol

C14H14O — CID 177415182

IUPAC(4-prop-2-enylnaphthalen-1-yl)methanol
SMILESC=CCc1ccc(CO)c2ccccc12
InChIInChI=1S/C14H14O/c1-2-5-11-8-9-12(10-15)14-7-4-3-6-13(11)14/h2-4,6-9,15H,1,5,10H2
InChIKeyWQQLCPCWLIPLIR-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.06
Rot. Bonds3

About (4-prop-2-enylnaphthalen-1-yl)methanol

(4-prop-2-enylnaphthalen-1-yl)methanol (PubChem CID 177415182) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is (4-prop-2-enylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(4-prop-2-enylnaphthalen-1-yl)methanol
PubChem CID177415182
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name(4-prop-2-enylnaphthalen-1-yl)methanol
SMILESC=CCc1ccc(CO)c2ccccc12
InChIInChI=1S/C14H14O/c1-2-5-11-8-9-12(10-15)14-7-4-3-6-13(11)14/h2-4,6-9,15H,1,5,10H2
InChIKeyWQQLCPCWLIPLIR-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-prop-2-enylnaphthalen-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

Related Compounds

ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol
CID 118354681
5-prop-2-enylnaphthalen-1-ol
CID 139534699
2-(2-prop-2-enylnaphthalen-1-yl)ethanol
CID 138550919
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
1-ethyl-2-prop-2-enylnaphthalene
CID 90721698
(2-fluoro-3-prop-2-enylphenyl)methanol
CID 67384125
formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
CID 70221186
(4-fluoro-2-prop-2-enylphenyl)methanol
CID 118307113
[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol
CID 173437645
1-benzyl-2-prop-2-enylnaphthalene
CID 173093978
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enylnaphthalen-1-yl)methanol?
The IUPAC name of (4-prop-2-enylnaphthalen-1-yl)methanol (CID 177415182) is (4-prop-2-enylnaphthalen-1-yl)methanol.
What is the SMILES notation for (4-prop-2-enylnaphthalen-1-yl)methanol?
The canonical SMILES for (4-prop-2-enylnaphthalen-1-yl)methanol is C=CCc1ccc(CO)c2ccccc12.
What is the InChIKey of (4-prop-2-enylnaphthalen-1-yl)methanol?
The InChIKey is WQQLCPCWLIPLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-2-5-11-8-9-12(10-15)14-7-4-3-6-13(11)14/h2-4,6-9,15H,1,5,10H2.
What are the key properties of (4-prop-2-enylnaphthalen-1-yl)methanol?
(4-prop-2-enylnaphthalen-1-yl)methanol has a molecular weight of 198.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enylnaphthalen-1-yl)methanol is sourced from PubChem (CID 177415182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).