2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol

C18H20O2 — CID 170636097

IUPAC2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol
SMILESC=C(C)c1ccccc1C(C)(O)c1ccc(C)cc1O
InChIInChI=1S/C18H20O2/c1-12(2)14-7-5-6-8-15(14)18(4,20)16-10-9-13(3)11-17(16)19/h5-11,19-20H,1H2,2-4H3
InChIKeyKKCQHYQQDNUYTQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.99
Rot. Bonds3

About 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol

2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol (PubChem CID 170636097) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol
PubChem CID170636097
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol
SMILESC=C(C)c1ccccc1C(C)(O)c1ccc(C)cc1O
InChIInChI=1S/C18H20O2/c1-12(2)14-7-5-6-8-15(14)18(4,20)16-10-9-13(3)11-17(16)19/h5-11,19-20H,1H2,2-4H3
InChIKeyKKCQHYQQDNUYTQ-UHFFFAOYSA-N
XLogP3.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol 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

1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
1-iodo-4-[1-(4-methylphenyl)-1-(2-prop-1-en-2-ylphenyl)ethyl]benzene
CID 169258960
2-tert-butylphenol;2-methylprop-1-ene
CID 160954539
actinium;2-prop-1-en-2-ylphenol
CID 20669246
1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol
CID 55120280
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
CID 130715029
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
2,6-dihydroxy-2-(2-hydroxy-4-methylphenyl)-6-methylhept-4-en-3-one
CID 74493494
1-(3-methylhexan-3-yl)-2-prop-1-en-2-ylbenzene
CID 143192711
2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol
CID 54425254

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol (CID 170636097) is 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol is C=C(C)c1ccccc1C(C)(O)c1ccc(C)cc1O.
What is the InChIKey of 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol?
The InChIKey is KKCQHYQQDNUYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12(2)14-7-5-6-8-15(14)18(4,20)16-10-9-13(3)11-17(16)19/h5-11,19-20H,1H2,2-4H3.
What are the key properties of 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol?
2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol has a molecular weight of 268.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol is sourced from PubChem (CID 170636097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).