3-methylcyclohexa-2,4-dien-1-ol

C7H10O — CID 23403167

IUPAC3-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)CC=C1
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2-3,5,7-8H,4H2,1H3
InChIKeyJUKDRAILSZBHDW-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.25
Rot. Bonds

About 3-methylcyclohexa-2,4-dien-1-ol

3-methylcyclohexa-2,4-dien-1-ol (PubChem CID 23403167) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-methylcyclohexa-2,4-dien-1-ol
PubChem CID23403167
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)CC=C1
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2-3,5,7-8H,4H2,1H3
InChIKeyJUKDRAILSZBHDW-UHFFFAOYSA-N
XLogP1.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
Ipsdienol
CID 92301
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
(1R,2R)-cyclohexa-3,5-diene-1,2-diol
CID 149186
Cis-1,2-dihydrocatechol
CID 176951
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
5,6-Dihydroxycyclohexa-1,3-diene
CID 418
3,5-Cyclohexadiene-1,2-diol, 3-methyl-, cis-
CID 440399
Hex-4-en-3-ol
CID 5366234
6,10-Dimethylundeca-1,5,9-trien-4-ol
CID 5365897
(1S,2S)-cyclohexa-3,5-diene-1,2-diol
CID 152287
Aspinotriol B
CID 24763080

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-methylcyclohexa-2,4-dien-1-ol (CID 23403167) is 3-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-methylcyclohexa-2,4-dien-1-ol is CC1=CC(O)CC=C1.
What is the InChIKey of 3-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is JUKDRAILSZBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2-3,5,7-8H,4H2,1H3.
What are the key properties of 3-methylcyclohexa-2,4-dien-1-ol?
3-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 110.16 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23403167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).