6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol

C15H17ClO — CID 141264245

IUPAC6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(Cl)C=CC(C)(O)C1Cc1ccccc1
InChIInChI=1S/C15H17ClO/c1-11-13(10-12-6-4-3-5-7-12)15(2,17)9-8-14(11)16/h3-9,13,17H,10H2,1-2H3
InChIKeyNXQOHIZKGYXQKM-UHFFFAOYSA-N
MW248.75 g/mol
LogP3.68
Rot. Bonds2

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

6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 141264245) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID141264245
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(Cl)C=CC(C)(O)C1Cc1ccccc1
InChIInChI=1S/C15H17ClO/c1-11-13(10-12-6-4-3-5-7-12)15(2,17)9-8-14(11)16/h3-9,13,17H,10H2,1-2H3
InChIKeyNXQOHIZKGYXQKM-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol (CID 141264245) is 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol is CC1=C(Cl)C=CC(C)(O)C1Cc1ccccc1.
What is the InChIKey of 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is NXQOHIZKGYXQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c1-11-13(10-12-6-4-3-5-7-12)15(2,17)9-8-14(11)16/h3-9,13,17H,10H2,1-2H3.
What are the key properties of 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol?
6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 248.75 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141264245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).