(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol

C11H18O — CID 175761556

IUPAC(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol
SMILESCCCC1C=CC=CC1(C)CO
InChIInChI=1S/C11H18O/c1-3-6-10-7-4-5-8-11(10,2)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3
InChIKeyYGWUKBGOJKNQTM-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.53
Rot. Bonds3

About (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol

(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 175761556) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID175761556
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol
SMILESCCCC1C=CC=CC1(C)CO
InChIInChI=1S/C11H18O/c1-3-6-10-7-4-5-8-11(10,2)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3
InChIKeyYGWUKBGOJKNQTM-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol 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-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol (CID 175761556) is (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol is CCCC1C=CC=CC1(C)CO.
What is the InChIKey of (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is YGWUKBGOJKNQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-6-10-7-4-5-8-11(10,2)9-12/h4-5,7-8,10,12H,3,6,9H2,1-2H3.
What are the key properties of (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol?
(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 166.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 175761556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).