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

C15H18O — CID 174271092

IUPAC2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=C(Cc2ccccc2)C1(C)O
InChIInChI=1S/C15H18O/c1-12-7-6-10-14(15(12,2)16)11-13-8-4-3-5-9-13/h3-10,12,16H,11H2,1-2H3
InChIKeyTVAXTXDSXRTJHT-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.11
Rot. Bonds2

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

2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 174271092) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID174271092
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=C(Cc2ccccc2)C1(C)O
InChIInChI=1S/C15H18O/c1-12-7-6-10-14(15(12,2)16)11-13-8-4-3-5-9-13/h3-10,12,16H,11H2,1-2H3
InChIKeyTVAXTXDSXRTJHT-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene
CID 159527718
N-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
CID 141131054
benzyl-bis(1,6-dimethylcyclohexa-2,4-dien-1-yl)phosphane
CID 141415068
phenyl(113C)methylbenzene
CID 11194569
2-benzylcycloprop-2-en-1-ol
CID 18539682
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 141345883
benzylbenzene;methoxymethane
CID 161110966
benzylbenzene;ethane;methanamine
CID 54117827
1-benzyl-4-methylbenzene;toluene
CID 144690555
benzylbenzene;propane;toluene
CID 90753545

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol (CID 174271092) is 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol is CC1C=CC=C(Cc2ccccc2)C1(C)O.
What is the InChIKey of 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is TVAXTXDSXRTJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-12-7-6-10-14(15(12,2)16)11-13-8-4-3-5-9-13/h3-10,12,16H,11H2,1-2H3.
What are the key properties of 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol?
2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 214.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174271092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).