3-benzyl-1-prop-2-enylnaphthalen-2-ol

C20H18O — CID 164665597

IUPAC3-benzyl-1-prop-2-enylnaphthalen-2-ol
SMILESC=CCc1c(O)c(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C20H18O/c1-2-8-19-18-12-7-6-11-16(18)14-17(20(19)21)13-15-9-4-3-5-10-15/h2-7,9-12,14,21H,1,8,13H2
InChIKeyGWEIPSVXAPAUOQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.86
Rot. Bonds4

About 3-benzyl-1-prop-2-enylnaphthalen-2-ol

3-benzyl-1-prop-2-enylnaphthalen-2-ol (PubChem CID 164665597) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-benzyl-1-prop-2-enylnaphthalen-2-ol.

Molecular Properties

Compound Name3-benzyl-1-prop-2-enylnaphthalen-2-ol
PubChem CID164665597
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name3-benzyl-1-prop-2-enylnaphthalen-2-ol
SMILESC=CCc1c(O)c(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C20H18O/c1-2-8-19-18-12-7-6-11-16(18)14-17(20(19)21)13-15-9-4-3-5-10-15/h2-7,9-12,14,21H,1,8,13H2
InChIKeyGWEIPSVXAPAUOQ-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.86
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

1-benzyl-2-prop-2-enylnaphthalene
CID 173093978
3-methoxy-1-prop-2-enylnaphthalen-2-ol
CID 130034062
formic acid;3-prop-2-enylnaphthalene-1,2-diol
CID 174619626
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
2,3-dibenzylnaphthalene-1-carboxylic acid
CID 141413353
1-prop-2-enylanthracen-2-ol
CID 175294805
3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
CID 176915963
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
3-methoxy-7-phenyl-1-prop-2-enylnaphthalen-2-ol
CID 138978939
4-[(3-ethenyl-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carbaldehyde;methanol
CID 177224717
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-prop-2-enylnaphthalen-2-ol?
The IUPAC name of 3-benzyl-1-prop-2-enylnaphthalen-2-ol (CID 164665597) is 3-benzyl-1-prop-2-enylnaphthalen-2-ol.
What is the SMILES notation for 3-benzyl-1-prop-2-enylnaphthalen-2-ol?
The canonical SMILES for 3-benzyl-1-prop-2-enylnaphthalen-2-ol is C=CCc1c(O)c(Cc2ccccc2)cc2ccccc12.
What is the InChIKey of 3-benzyl-1-prop-2-enylnaphthalen-2-ol?
The InChIKey is GWEIPSVXAPAUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-2-8-19-18-12-7-6-11-16(18)14-17(20(19)21)13-15-9-4-3-5-10-15/h2-7,9-12,14,21H,1,8,13H2.
What are the key properties of 3-benzyl-1-prop-2-enylnaphthalen-2-ol?
3-benzyl-1-prop-2-enylnaphthalen-2-ol has a molecular weight of 274.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-prop-2-enylnaphthalen-2-ol is sourced from PubChem (CID 164665597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).