6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde

C14H14O2 — CID 87817177

IUPAC6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde
SMILESCc1cccc(C2(O)C=CC=CC2C=O)c1
InChIInChI=1S/C14H14O2/c1-11-5-4-7-12(9-11)14(16)8-3-2-6-13(14)10-15/h2-10,13,16H,1H3
InChIKeyQUZQVDSWRJCXHR-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.12
Rot. Bonds2

About 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde

6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 87817177) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde
PubChem CID87817177
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde
SMILESCc1cccc(C2(O)C=CC=CC2C=O)c1
InChIInChI=1S/C14H14O2/c1-11-5-4-7-12(9-11)14(16)8-3-2-6-13(14)10-15/h2-10,13,16H,1H3
InChIKeyQUZQVDSWRJCXHR-UHFFFAOYSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1-(3-methylphenyl)cyclobutane-1-carbaldehyde
CID 105446064
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
formic acid;1,3-xylene;hydrochloride
CID 143757587
5-methyl-1-(3-methylphenyl)-7-thiabicyclo[4.1.0]hepta-2,4-diene
CID 175550388
3-(3-methylphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171965040
3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol
CID 176766940
oxaldehydic acid;1,3-xylene
CID 175563573
6-bromo-5-chloro-6-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 173369977
1-(3-methylphenyl)-4-propylcyclohexan-1-ol
CID 60794525
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724219
2,3,4,5-tetrakis(3-methylphenyl)oxolane-2,3,4,5-tetracarboxylic acid
CID 66808518
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde (CID 87817177) is 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde is Cc1cccc(C2(O)C=CC=CC2C=O)c1.
What is the InChIKey of 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is QUZQVDSWRJCXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11-5-4-7-12(9-11)14(16)8-3-2-6-13(14)10-15/h2-10,13,16H,1H3.
What are the key properties of 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde?
6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-(3-methylphenyl)cyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 87817177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).