1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol

C9H10Cl2O — CID 174827742

IUPAC1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C=CC(Cl)=CC1C1CC1
InChIInChI=1S/C9H10Cl2O/c10-7-3-4-9(11,12)8(5-7)6-1-2-6/h3-6,8,12H,1-2H2
InChIKeyGTNLDOMBDSAEHX-UHFFFAOYSA-N
MW205.08 g/mol
LogP2.63
Rot. Bonds1

About 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol

1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol (PubChem CID 174827742) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol
PubChem CID174827742
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C=CC(Cl)=CC1C1CC1
InChIInChI=1S/C9H10Cl2O/c10-7-3-4-9(11,12)8(5-7)6-1-2-6/h3-6,8,12H,1-2H2
InChIKeyGTNLDOMBDSAEHX-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5,6-trichloro-5-methylcyclohexa-1,3-diene
CID 66643207
(1S)-3-chlorocyclohexa-2,4-dien-1-ol
CID 71662884
4-chloro-1-methoxy-6-nitrocyclohexa-2,4-dien-1-ol
CID 174679963
2,5-dichloro-5-methyl-6-nitrocyclohexa-1,3-diene
CID 150962594
2,5-dichloro-5-methylcyclohexa-1,3-diene
CID 66643291
1,4-dichlorocyclohexa-3,5-diene-1,3-diol
CID 70378057
4-chloro-6-ethynyl-1-fluorocyclohexa-2,4-diene-1-carboxylic acid
CID 174565781
5,6,7,8,13,14,15,16-octachloropentacyclo[10.4.0.04,9.05,8.013,16]hexadeca-6,14-diene
CID 89234857
(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol
CID 135191708
1-(2-chlorophenyl)-3-cyclopropylcyclohexan-1-ol
CID 64625455
(1S,2S,5R)-3-chlorobicyclo[3.2.1]oct-3-en-2-ol
CID 10441949
2,5,6-trichloro-4-cyclopropyl-1,4-dihydropyrimidine
CID 135310534

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol (CID 174827742) is 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol is OC1(Cl)C=CC(Cl)=CC1C1CC1.
What is the InChIKey of 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol?
The InChIKey is GTNLDOMBDSAEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c10-7-3-4-9(11,12)8(5-7)6-1-2-6/h3-6,8,12H,1-2H2.
What are the key properties of 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol?
1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol has a molecular weight of 205.08 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174827742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).