2-methylbenzaldehyde;phenol

C14H14O2 — CID 88733801

IUPAC2-methylbenzaldehyde;phenol
SMILESCc1ccccc1C=O.Oc1ccccc1
InChIInChI=1S/C8H8O.C6H6O/c1-7-4-2-3-5-8(7)6-9;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5,7H
InChIKeyYLMRBTHELGGFTI-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.20
Rot. Bonds1

About 2-methylbenzaldehyde;phenol

2-methylbenzaldehyde;phenol (PubChem CID 88733801) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methylbenzaldehyde;phenol.

Molecular Properties

Compound Name2-methylbenzaldehyde;phenol
PubChem CID88733801
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-methylbenzaldehyde;phenol
SMILESCc1ccccc1C=O.Oc1ccccc1
InChIInChI=1S/C8H8O.C6H6O/c1-7-4-2-3-5-8(7)6-9;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5,7H
InChIKeyYLMRBTHELGGFTI-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylbenzaldehyde;phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;2-methylbenzaldehyde
CID 161286186
3-hydroxy-2-methylbenzaldehyde;phenol
CID 87138330
ethane;2-(methylamino)prop-2-enoic acid;2-methylbenzaldehyde
CID 143679518
CID 158421076
CID 158421076
phenol;1,2,4,5-tetramethylbenzene
CID 158089853
methoxymethane;phenol
CID 18763564
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
2-hydroxybenzaldehyde;methanamine
CID 174602056
aniline;2-hydroxybenzaldehyde
CID 159847329
1-ethyl-2-methylbenzene;phenol
CID 161311856
benzaldehyde;2,3-dimethylbenzaldehyde
CID 174844516
ethane;phenol
CID 161156308

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzaldehyde;phenol?
The IUPAC name of 2-methylbenzaldehyde;phenol (CID 88733801) is 2-methylbenzaldehyde;phenol.
What is the SMILES notation for 2-methylbenzaldehyde;phenol?
The canonical SMILES for 2-methylbenzaldehyde;phenol is Cc1ccccc1C=O.Oc1ccccc1.
What is the InChIKey of 2-methylbenzaldehyde;phenol?
The InChIKey is YLMRBTHELGGFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C6H6O/c1-7-4-2-3-5-8(7)6-9;7-6-4-2-1-3-5-6/h2-6H,1H3;1-5,7H.
What are the key properties of 2-methylbenzaldehyde;phenol?
2-methylbenzaldehyde;phenol has a molecular weight of 214.26 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzaldehyde;phenol is sourced from PubChem (CID 88733801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).