4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol

C19H24O2 — CID 67882384

IUPAC4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol
SMILESCC(=Cc1ccc(O)c(C)c1)C1=CC(C)(C)C(O)C(C)=C1
InChIInChI=1S/C19H24O2/c1-12(8-15-6-7-17(20)13(2)9-15)16-10-14(3)18(21)19(4,5)11-16/h6-11,18,20-21H,1-5H3
InChIKeyVEANCHRJONJVCV-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.38
Rot. Bonds2

About 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol

4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol (PubChem CID 67882384) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol
PubChem CID67882384
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol
SMILESCC(=Cc1ccc(O)c(C)c1)C1=CC(C)(C)C(O)C(C)=C1
InChIInChI=1S/C19H24O2/c1-12(8-15-6-7-17(20)13(2)9-15)16-10-14(3)18(21)19(4,5)11-16/h6-11,18,20-21H,1-5H3
InChIKeyVEANCHRJONJVCV-UHFFFAOYSA-N
XLogP4.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol (CID 67882384) is 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol is CC(=Cc1ccc(O)c(C)c1)C1=CC(C)(C)C(O)C(C)=C1.
What is the InChIKey of 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is VEANCHRJONJVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-12(8-15-6-7-17(20)13(2)9-15)16-10-14(3)18(21)19(4,5)11-16/h6-11,18,20-21H,1-5H3.
What are the key properties of 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol?
4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 284.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-methylphenyl)prop-1-en-2-yl]-2,6,6-trimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67882384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).