6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol

C8H11ClO — CID 145414627

IUPAC6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(O)C(Cl)C(C)C=C1
InChIInChI=1S/C8H11ClO/c1-5-3-4-6(2)8(10)7(5)9/h3-5,7,10H,1-2H3
InChIKeyGQTXUDSPQRYFDC-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.63
Rot. Bonds

About 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol

6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol (PubChem CID 145414627) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol
PubChem CID145414627
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(O)C(Cl)C(C)C=C1
InChIInChI=1S/C8H11ClO/c1-5-3-4-6(2)8(10)7(5)9/h3-5,7,10H,1-2H3
InChIKeyGQTXUDSPQRYFDC-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
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

(5R)-2,5-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 70355900
4,7-dimethyl-2,3,3a,4-tetrahydro-1H-indene
CID 87376967
1,2,4-trimethylcyclohexa-3,5-diene-1,3-diol
CID 70468313
3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 154059355
(4S,5R)-4,5-dimethylcyclopent-2-en-1-one
CID 12892584
1,2,5-trimethylcyclopenta-1,3-diene;zirconium
CID 174480219
(4S)-4,5-dimethylcyclopent-2-en-1-one
CID 59939751
2,3-dimethylcyclopropen-1-ol
CID 58816589
(4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol
CID 126632903
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
CID 14056133
ethane;2,3,6-trimethyl-2,3-dihydropyridine
CID 144863717
4,5-dimethylcyclohexa-2,6-diene-1,2-diol
CID 58085910

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol (CID 145414627) is 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol is CC1=C(O)C(Cl)C(C)C=C1.
What is the InChIKey of 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is GQTXUDSPQRYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c1-5-3-4-6(2)8(10)7(5)9/h3-5,7,10H,1-2H3.
What are the key properties of 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol?
6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 158.63 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 145414627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).