5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol

C15H20O2 — CID 139395182

IUPAC5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol
SMILESCC(C)=CCCc1ccc(/C=C/CO)cc1O
InChIInChI=1S/C15H20O2/c1-12(2)5-3-7-14-9-8-13(6-4-10-16)11-15(14)17/h4-6,8-9,11,16-17H,3,7,10H2,1-2H3/b6-4+
InChIKeyUGLJOBBZQVIDSL-GQCTYLIASA-N
MW232.32 g/mol
LogP3.30
Rot. Bonds5

About 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol

5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol (PubChem CID 139395182) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol.

Molecular Properties

Compound Name5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol
PubChem CID139395182
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol
SMILESCC(C)=CCCc1ccc(/C=C/CO)cc1O
InChIInChI=1S/C15H20O2/c1-12(2)5-3-7-14-9-8-13(6-4-10-16)11-15(14)17/h4-6,8-9,11,16-17H,3,7,10H2,1-2H3/b6-4+
InChIKeyUGLJOBBZQVIDSL-GQCTYLIASA-N
XLogP3.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
CID 169453245
2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641157
2-amino-5-(3-hydroxyprop-1-enyl)phenol
CID 169453102
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
2-chloro-4-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641151
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
CID 12641154
2-fluoro-5-(4-hydroxybut-1-enyl)phenol
CID 170476152
3-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 163079433
2-[(E)-5-hydroxypent-3-enyl]phenol
CID 57337479
2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid
CID 169453752
2-[(dimethylamino)methyl]-5-[(E)-2-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]ethenyl]phenol;dihydrochloride
CID 46240911

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol?
The IUPAC name of 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol (CID 139395182) is 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol.
What is the SMILES notation for 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol?
The canonical SMILES for 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol is CC(C)=CCCc1ccc(/C=C/CO)cc1O.
What is the InChIKey of 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol?
The InChIKey is UGLJOBBZQVIDSL-GQCTYLIASA-N. The full InChI is InChI=1S/C15H20O2/c1-12(2)5-3-7-14-9-8-13(6-4-10-16)11-15(14)17/h4-6,8-9,11,16-17H,3,7,10H2,1-2H3/b6-4+.
What are the key properties of 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol?
5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol has a molecular weight of 232.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-hydroxyprop-1-enyl]-2-(4-methylpent-3-enyl)phenol is sourced from PubChem (CID 139395182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).