(2-methylcyclohexa-2,4-dien-1-yl)methanol

C8H12O — CID 15174764

IUPAC(2-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CC=CCC1CO
InChIInChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9/h2-4,8-9H,5-6H2,1H3
InChIKeyFZVSTZWZQRUIJQ-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.50
Rot. Bonds1

About (2-methylcyclohexa-2,4-dien-1-yl)methanol

(2-methylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 15174764) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (2-methylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2-methylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID15174764
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(2-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CC=CCC1CO
InChIInChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9/h2-4,8-9H,5-6H2,1H3
InChIKeyFZVSTZWZQRUIJQ-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (2-methylcyclohexa-2,4-dien-1-yl)methanol (CID 15174764) is (2-methylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (2-methylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (2-methylcyclohexa-2,4-dien-1-yl)methanol is CC1=CC=CCC1CO.
What is the InChIKey of (2-methylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is FZVSTZWZQRUIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7-4-2-3-5-8(7)6-9/h2-4,8-9H,5-6H2,1H3.
What are the key properties of (2-methylcyclohexa-2,4-dien-1-yl)methanol?
(2-methylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 124.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 15174764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).