3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol

C13H18O2 — CID 115024743

IUPAC3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol
SMILESCC(C)(C)/C(=C/c1cccc(O)c1)CO
InChIInChI=1S/C13H18O2/c1-13(2,3)11(9-14)7-10-5-4-6-12(15)8-10/h4-8,14-15H,9H2,1-3H3/b11-7+
InChIKeyWVYBHWPLZQJYJV-YRNVUSSQSA-N
MW206.29 g/mol
LogP2.81
Rot. Bonds2

About 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol

3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol (PubChem CID 115024743) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol.

Molecular Properties

Compound Name3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol
PubChem CID115024743
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol
SMILESCC(C)(C)/C(=C/c1cccc(O)c1)CO
InChIInChI=1S/C13H18O2/c1-13(2,3)11(9-14)7-10-5-4-6-12(15)8-10/h4-8,14-15H,9H2,1-3H3/b11-7+
InChIKeyWVYBHWPLZQJYJV-YRNVUSSQSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol 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

3-[(Z)-2-aminoprop-1-enyl]phenol
CID 145337381
(2Z)-2-[(3-chlorophenyl)methylidene]-3,3-dimethylbutan-1-amine
CID 115034284
3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol
CID 6172556
3-[(E)-3,4,4-trimethylpent-1-enyl]phenol
CID 143655570
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
3-(2-methoxyethenyl)phenol
CID 175460679
3-[(E)-hex-1-enyl]phenol
CID 121007177
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
3-[(E)-2-chloroethenyl]phenol
CID 131239528
3-[(E)-2-bromoethenyl]phenol
CID 74892827
methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate
CID 57111234

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol?
The IUPAC name of 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol (CID 115024743) is 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol.
What is the SMILES notation for 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol?
The canonical SMILES for 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol is CC(C)(C)/C(=C/c1cccc(O)c1)CO.
What is the InChIKey of 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol?
The InChIKey is WVYBHWPLZQJYJV-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,3)11(9-14)7-10-5-4-6-12(15)8-10/h4-8,14-15H,9H2,1-3H3/b11-7+.
What are the key properties of 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol?
3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(hydroxymethyl)-3,3-dimethylbut-1-enyl]phenol is sourced from PubChem (CID 115024743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).