(6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone

C8H8O2 — CID 174435987

IUPAC(6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone
SMILESCC1=CC(=C=O)C(O)C=C1
InChIInChI=1S/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-4,8,10H,1H3
InChIKeyALOPKSWSNGECOH-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.62
Rot. Bonds

About (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone

(6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 174435987) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID174435987
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone
SMILESCC1=CC(=C=O)C(O)C=C1
InChIInChI=1S/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-4,8,10H,1H3
InChIKeyALOPKSWSNGECOH-UHFFFAOYSA-N
XLogP0.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-sulfinylcyclohexa-2,4-dien-1-ol
CID 88823469
(1R,2S)-4-methylcyclohexa-3,5-diene-1,2-diol
CID 25203479
dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
CID 158454855
acetic acid;(2,3-diethoxy-6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
CID 86746901
[3-hydroxy-6-(pentylamino)cyclohexa-2,4-dien-1-ylidene]methanone
CID 176520573
6-methoxy-3-methylcyclohexa-2,4-dien-1-ol
CID 89265152
(4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium
CID 174806990
6-ethenylidenecyclohexa-2,4-dien-1-ol
CID 154163328
3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 154059355
CID 175418722
CID 175418722
4-isocyanato-6-sulfonylcyclohexa-2,4-dien-1-ol
CID 142711743
3-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-one
CID 166057582

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone (CID 174435987) is (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone is CC1=CC(=C=O)C(O)C=C1.
What is the InChIKey of (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is ALOPKSWSNGECOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-4,8,10H,1H3.
What are the key properties of (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone?
(6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 136.15 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-3-methylcyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 174435987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).