6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene

C16H21ClO — CID 174712067

IUPAC6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene
SMILESCC1=CC=CC(C)(O)C1Cl.Cc1ccccc1C
InChIInChI=1S/C8H11ClO.C8H10/c1-6-4-3-5-8(2,10)7(6)9;1-7-5-3-4-6-8(7)2/h3-5,7,10H,1-2H3;3-6H,1-2H3
InChIKeyJANVGIFMJHVGDJ-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.16
Rot. Bonds

About 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene

6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene (PubChem CID 174712067) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene.

Molecular Properties

Compound Name6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene
PubChem CID174712067
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene
SMILESCC1=CC=CC(C)(O)C1Cl.Cc1ccccc1C
InChIInChI=1S/C8H11ClO.C8H10/c1-6-4-3-5-8(2,10)7(6)9;1-7-5-3-4-6-8(7)2/h3-5,7,10H,1-2H3;3-6H,1-2H3
InChIKeyJANVGIFMJHVGDJ-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.16
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 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene?
The IUPAC name of 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene (CID 174712067) is 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene.
What is the SMILES notation for 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene?
The canonical SMILES for 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene is CC1=CC=CC(C)(O)C1Cl.Cc1ccccc1C.
What is the InChIKey of 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene?
The InChIKey is JANVGIFMJHVGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO.C8H10/c1-6-4-3-5-8(2,10)7(6)9;1-7-5-3-4-6-8(7)2/h3-5,7,10H,1-2H3;3-6H,1-2H3.
What are the key properties of 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene?
6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene has a molecular weight of 264.80 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene is sourced from PubChem (CID 174712067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).