2-methyl-3-phenylbenzaldehyde

C14H12O — CID 22608003

IUPAC2-methyl-3-phenylbenzaldehyde
SMILESCc1c(C=O)cccc1-c1ccccc1
InChIInChI=1S/C14H12O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyIFMFMTSKMLYKOB-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.47
Rot. Bonds2

About 2-methyl-3-phenylbenzaldehyde

2-methyl-3-phenylbenzaldehyde (PubChem CID 22608003) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-3-phenylbenzaldehyde.

Molecular Properties

Compound Name2-methyl-3-phenylbenzaldehyde
PubChem CID22608003
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name2-methyl-3-phenylbenzaldehyde
SMILESCc1c(C=O)cccc1-c1ccccc1
InChIInChI=1S/C14H12O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyIFMFMTSKMLYKOB-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzophenone
CID 3102
Phthalaldehyde
CID 4807
4-Methylbenzaldehyde
CID 7725
2-Methylbenzaldehyde
CID 10722
Anthrone
CID 7018
1-Naphthaldehyde
CID 6195
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326
2-Acetylnaphthalene
CID 7122
2,4,6-Trimethylbenzaldehyde
CID 10254
3-Methylbenzaldehyde
CID 12105
2,4-Dimethylacetophenone
CID 6985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylbenzaldehyde?
The IUPAC name of 2-methyl-3-phenylbenzaldehyde (CID 22608003) is 2-methyl-3-phenylbenzaldehyde.
What is the SMILES notation for 2-methyl-3-phenylbenzaldehyde?
The canonical SMILES for 2-methyl-3-phenylbenzaldehyde is Cc1c(C=O)cccc1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylbenzaldehyde?
The InChIKey is IFMFMTSKMLYKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 2-methyl-3-phenylbenzaldehyde?
2-methyl-3-phenylbenzaldehyde has a molecular weight of 196.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylbenzaldehyde is sourced from PubChem (CID 22608003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).