2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol

C10H13ClO — CID 70455127

IUPAC2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C=C1C=CC=C(Cl)C1O
InChIInChI=1S/C10H13ClO/c1-7(2)6-8-4-3-5-9(11)10(8)12/h3-7,10,12H,1-2H3
InChIKeyUNIUDVIKZWNYIQ-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.62
Rot. Bonds1

About 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol

2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol (PubChem CID 70455127) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol
PubChem CID70455127
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C=C1C=CC=C(Cl)C1O
InChIInChI=1S/C10H13ClO/c1-7(2)6-8-4-3-5-9(11)10(8)12/h3-7,10,12H,1-2H3
InChIKeyUNIUDVIKZWNYIQ-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-6-(2-methylpropylidene)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 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol (CID 70455127) is 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol is CC(C)C=C1C=CC=C(Cl)C1O.
What is the InChIKey of 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol?
The InChIKey is UNIUDVIKZWNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-7(2)6-8-4-3-5-9(11)10(8)12/h3-7,10,12H,1-2H3.
What are the key properties of 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol?
2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol has a molecular weight of 184.67 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropylidene)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70455127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).