1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol

C15H20O2 — CID 18921248

IUPAC1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C1(O)C=CC=CC1)C1(O)C=CC=CC1
InChIInChI=1S/C15H20O2/c1-13(2,14(16)9-5-3-6-10-14)15(17)11-7-4-8-12-15/h3-9,11,16-17H,10,12H2,1-2H3
InChIKeyRJPLHMDZINIJFR-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.51
Rot. Bonds2

About 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol

1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol (PubChem CID 18921248) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
PubChem CID18921248
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C1(O)C=CC=CC1)C1(O)C=CC=CC1
InChIInChI=1S/C15H20O2/c1-13(2,14(16)9-5-3-6-10-14)15(17)11-7-4-8-12-15/h3-9,11,16-17H,10,12H2,1-2H3
InChIKeyRJPLHMDZINIJFR-UHFFFAOYSA-N
XLogP2.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-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 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol (CID 18921248) is 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol is CC(C)(C1(O)C=CC=CC1)C1(O)C=CC=CC1.
What is the InChIKey of 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol?
The InChIKey is RJPLHMDZINIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-13(2,14(16)9-5-3-6-10-14)15(17)11-7-4-8-12-15/h3-9,11,16-17H,10,12H2,1-2H3.
What are the key properties of 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol?
1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol has a molecular weight of 232.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 18921248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).