3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol

C7H8Cl2O — CID 70189238

IUPAC3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1(Cl)C=C(O)C=C(Cl)C1
InChIInChI=1S/C7H8Cl2O/c1-7(9)3-5(8)2-6(10)4-7/h2,4,10H,3H2,1H3
InChIKeyHNRFANYUVBBXJM-UHFFFAOYSA-N
MW179.05 g/mol
LogP2.95
Rot. Bonds

About 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol

3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol (PubChem CID 70189238) has the molecular formula C7H8Cl2O and a molecular weight of 179.05 g/mol. Its IUPAC name is 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol
PubChem CID70189238
Molecular FormulaC7H8Cl2O
Molecular Weight179.05 g/mol
Exact Mass178.00
IUPAC Name3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1(Cl)C=C(O)C=C(Cl)C1
InChIInChI=1S/C7H8Cl2O/c1-7(9)3-5(8)2-6(10)4-7/h2,4,10H,3H2,1H3
InChIKeyHNRFANYUVBBXJM-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol (CID 70189238) is 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol is CC1(Cl)C=C(O)C=C(Cl)C1.
What is the InChIKey of 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is HNRFANYUVBBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2O/c1-7(9)3-5(8)2-6(10)4-7/h2,4,10H,3H2,1H3.
What are the key properties of 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol?
3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 179.05 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-3-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70189238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).