2-(4-methylpent-1-en-3-yl)phenol

C12H16O — CID 15879996

IUPAC2-(4-methylpent-1-en-3-yl)phenol
SMILESC=CC(c1ccccc1O)C(C)C
InChIInChI=1S/C12H16O/c1-4-10(9(2)3)11-7-5-6-8-12(11)13/h4-10,13H,1H2,2-3H3
InChIKeyGSYCAEMLVFGEKB-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-methylpent-1-en-3-yl)phenol

2-(4-methylpent-1-en-3-yl)phenol (PubChem CID 15879996) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(4-methylpent-1-en-3-yl)phenol.

Molecular Properties

Compound Name2-(4-methylpent-1-en-3-yl)phenol
PubChem CID15879996
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-(4-methylpent-1-en-3-yl)phenol
SMILESC=CC(c1ccccc1O)C(C)C
InChIInChI=1S/C12H16O/c1-4-10(9(2)3)11-7-5-6-8-12(11)13/h4-10,13H,1H2,2-3H3
InChIKeyGSYCAEMLVFGEKB-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.32
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-(4-methylpent-1-en-3-yl)phenol?
The IUPAC name of 2-(4-methylpent-1-en-3-yl)phenol (CID 15879996) is 2-(4-methylpent-1-en-3-yl)phenol.
What is the SMILES notation for 2-(4-methylpent-1-en-3-yl)phenol?
The canonical SMILES for 2-(4-methylpent-1-en-3-yl)phenol is C=CC(c1ccccc1O)C(C)C.
What is the InChIKey of 2-(4-methylpent-1-en-3-yl)phenol?
The InChIKey is GSYCAEMLVFGEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-4-10(9(2)3)11-7-5-6-8-12(11)13/h4-10,13H,1H2,2-3H3.
What are the key properties of 2-(4-methylpent-1-en-3-yl)phenol?
2-(4-methylpent-1-en-3-yl)phenol has a molecular weight of 176.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-1-en-3-yl)phenol is sourced from PubChem (CID 15879996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).