[4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol

C15H18O — CID 70361784

IUPAC[4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCC1=CCC(CO)(c2ccccc2C)C=C1
InChIInChI=1S/C15H18O/c1-12-7-9-15(11-16,10-8-12)14-6-4-3-5-13(14)2/h3-9,16H,10-11H2,1-2H3
InChIKeyZZFOTUWXWRZDOK-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.13
Rot. Bonds2

About [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol

[4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 70361784) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID70361784
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name[4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCC1=CCC(CO)(c2ccccc2C)C=C1
InChIInChI=1S/C15H18O/c1-12-7-9-15(11-16,10-8-12)14-6-4-3-5-13(14)2/h3-9,16H,10-11H2,1-2H3
InChIKeyZZFOTUWXWRZDOK-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol (CID 70361784) is [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol is CC1=CCC(CO)(c2ccccc2C)C=C1.
What is the InChIKey of [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is ZZFOTUWXWRZDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-12-7-9-15(11-16,10-8-12)14-6-4-3-5-13(14)2/h3-9,16H,10-11H2,1-2H3.
What are the key properties of [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol?
[4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 214.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 70361784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).