(2-prop-2-enylphenyl)methanol

C10H12O — CID 5315031

IUPAC(2-prop-2-enylphenyl)methanol
SMILESC=CCc1ccccc1CO
InChIInChI=1S/C10H12O/c1-2-5-9-6-3-4-7-10(9)8-11/h2-4,6-7,11H,1,5,8H2
InChIKeyQZHICZLAJAPAJT-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.91
Rot. Bonds3

About (2-prop-2-enylphenyl)methanol

(2-prop-2-enylphenyl)methanol (PubChem CID 5315031) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (2-prop-2-enylphenyl)methanol.

Molecular Properties

Compound Name(2-prop-2-enylphenyl)methanol
PubChem CID5315031
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(2-prop-2-enylphenyl)methanol
SMILESC=CCc1ccccc1CO
InChIInChI=1S/C10H12O/c1-2-5-9-6-3-4-7-10(9)8-11/h2-4,6-7,11H,1,5,8H2
InChIKeyQZHICZLAJAPAJT-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enylphenyl)methanol?
The IUPAC name of (2-prop-2-enylphenyl)methanol (CID 5315031) is (2-prop-2-enylphenyl)methanol.
What is the SMILES notation for (2-prop-2-enylphenyl)methanol?
The canonical SMILES for (2-prop-2-enylphenyl)methanol is C=CCc1ccccc1CO.
What is the InChIKey of (2-prop-2-enylphenyl)methanol?
The InChIKey is QZHICZLAJAPAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-5-9-6-3-4-7-10(9)8-11/h2-4,6-7,11H,1,5,8H2.
What are the key properties of (2-prop-2-enylphenyl)methanol?
(2-prop-2-enylphenyl)methanol has a molecular weight of 148.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enylphenyl)methanol is sourced from PubChem (CID 5315031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).