(6-methylcyclohepta-1,3,6-trien-1-yl)methanol

C9H12O — CID 142991536

IUPAC(6-methylcyclohepta-1,3,6-trien-1-yl)methanol
SMILESCC1=CC(CO)=CC=CC1
InChIInChI=1S/C9H12O/c1-8-4-2-3-5-9(6-8)7-10/h2-3,5-6,10H,4,7H2,1H3
InChIKeySOLQVMNUDMBRDE-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.81
Rot. Bonds1

About (6-methylcyclohepta-1,3,6-trien-1-yl)methanol

(6-methylcyclohepta-1,3,6-trien-1-yl)methanol (PubChem CID 142991536) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (6-methylcyclohepta-1,3,6-trien-1-yl)methanol.

Molecular Properties

Compound Name(6-methylcyclohepta-1,3,6-trien-1-yl)methanol
PubChem CID142991536
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(6-methylcyclohepta-1,3,6-trien-1-yl)methanol
SMILESCC1=CC(CO)=CC=CC1
InChIInChI=1S/C9H12O/c1-8-4-2-3-5-9(6-8)7-10/h2-3,5-6,10H,4,7H2,1H3
InChIKeySOLQVMNUDMBRDE-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohepta-1,3,6-trien-1-yl)methanol?
The IUPAC name of (6-methylcyclohepta-1,3,6-trien-1-yl)methanol (CID 142991536) is (6-methylcyclohepta-1,3,6-trien-1-yl)methanol.
What is the SMILES notation for (6-methylcyclohepta-1,3,6-trien-1-yl)methanol?
The canonical SMILES for (6-methylcyclohepta-1,3,6-trien-1-yl)methanol is CC1=CC(CO)=CC=CC1.
What is the InChIKey of (6-methylcyclohepta-1,3,6-trien-1-yl)methanol?
The InChIKey is SOLQVMNUDMBRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8-4-2-3-5-9(6-8)7-10/h2-3,5-6,10H,4,7H2,1H3.
What are the key properties of (6-methylcyclohepta-1,3,6-trien-1-yl)methanol?
(6-methylcyclohepta-1,3,6-trien-1-yl)methanol has a molecular weight of 136.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohepta-1,3,6-trien-1-yl)methanol is sourced from PubChem (CID 142991536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).