6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol

C16H22O — CID 170388537

IUPAC6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol
SMILESCC1=CC(C2=CCCC(C(C)C)=C2)CC=C1O
InChIInChI=1S/C16H22O/c1-11(2)13-5-4-6-14(10-13)15-7-8-16(17)12(3)9-15/h6,8-11,15,17H,4-5,7H2,1-3H3
InChIKeyWTPKXIZRKVRJDP-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.70
Rot. Bonds2

About 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol

6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol (PubChem CID 170388537) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol
PubChem CID170388537
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol
SMILESCC1=CC(C2=CCCC(C(C)C)=C2)CC=C1O
InChIInChI=1S/C16H22O/c1-11(2)13-5-4-6-14(10-13)15-7-8-16(17)12(3)9-15/h6,8-11,15,17H,4-5,7H2,1-3H3
InChIKeyWTPKXIZRKVRJDP-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-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 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol (CID 170388537) is 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol is CC1=CC(C2=CCCC(C(C)C)=C2)CC=C1O.
What is the InChIKey of 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol?
The InChIKey is WTPKXIZRKVRJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11(2)13-5-4-6-14(10-13)15-7-8-16(17)12(3)9-15/h6,8-11,15,17H,4-5,7H2,1-3H3.
What are the key properties of 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol?
6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol has a molecular weight of 230.35 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 170388537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).