cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol

C15H16O — CID 71156292

IUPACcyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1=CCC=CC=C1
InChIInChI=1S/C15H16O/c1-12-8-6-7-11-14(12)15(16)13-9-4-2-3-5-10-13/h2-4,6-11,15-16H,5H2,1H3
InChIKeyFDUOPTRSWKNOSA-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.47
Rot. Bonds2

About cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol

cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol (PubChem CID 71156292) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol.

Molecular Properties

Compound Namecyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol
PubChem CID71156292
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Namecyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1=CCC=CC=C1
InChIInChI=1S/C15H16O/c1-12-8-6-7-11-14(12)15(16)13-9-4-2-3-5-10-13/h2-4,6-11,15-16H,5H2,1H3
InChIKeyFDUOPTRSWKNOSA-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol?
The IUPAC name of cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol (CID 71156292) is cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol.
What is the SMILES notation for cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol?
The canonical SMILES for cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol is Cc1ccccc1C(O)C1=CCC=CC=C1.
What is the InChIKey of cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol?
The InChIKey is FDUOPTRSWKNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-12-8-6-7-11-14(12)15(16)13-9-4-2-3-5-10-13/h2-4,6-11,15-16H,5H2,1H3.
What are the key properties of cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol?
cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol has a molecular weight of 212.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol is sourced from PubChem (CID 71156292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).