5-methoxy-2-(3-methylphenyl)benzaldehyde

C15H14O2 — CID 90346664

IUPAC5-methoxy-2-(3-methylphenyl)benzaldehyde
SMILESCOc1ccc(-c2cccc(C)c2)c(C=O)c1
InChIInChI=1S/C15H14O2/c1-11-4-3-5-12(8-11)15-7-6-14(17-2)9-13(15)10-16/h3-10H,1-2H3
InChIKeyQWGOOWSKAFAHPV-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.48
Rot. Bonds3

About 5-methoxy-2-(3-methylphenyl)benzaldehyde

5-methoxy-2-(3-methylphenyl)benzaldehyde (PubChem CID 90346664) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 5-methoxy-2-(3-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-(3-methylphenyl)benzaldehyde
PubChem CID90346664
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name5-methoxy-2-(3-methylphenyl)benzaldehyde
SMILESCOc1ccc(-c2cccc(C)c2)c(C=O)c1
InChIInChI=1S/C15H14O2/c1-11-4-3-5-12(8-11)15-7-6-14(17-2)9-13(15)10-16/h3-10H,1-2H3
InChIKeyQWGOOWSKAFAHPV-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nabumetone
CID 4409
Anisindione
CID 2197
3-Phenoxybenzaldehyde
CID 38284
4-Methoxybenzaldehyde
CID 31244
3-Methoxybenzaldehyde
CID 11569
4'-Methoxychalcone
CID 641818
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
6-Methoxy-alpha-tetralone
CID 14112
4,4'-Dimethoxybenzil
CID 71043
O-(p-Anisoyl)benzoic acid
CID 231963
1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
CID 123493
4-Methoxychalcone
CID 641819

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methylphenyl)benzaldehyde?
The IUPAC name of 5-methoxy-2-(3-methylphenyl)benzaldehyde (CID 90346664) is 5-methoxy-2-(3-methylphenyl)benzaldehyde.
What is the SMILES notation for 5-methoxy-2-(3-methylphenyl)benzaldehyde?
The canonical SMILES for 5-methoxy-2-(3-methylphenyl)benzaldehyde is COc1ccc(-c2cccc(C)c2)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-(3-methylphenyl)benzaldehyde?
The InChIKey is QWGOOWSKAFAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-4-3-5-12(8-11)15-7-6-14(17-2)9-13(15)10-16/h3-10H,1-2H3.
What are the key properties of 5-methoxy-2-(3-methylphenyl)benzaldehyde?
5-methoxy-2-(3-methylphenyl)benzaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methylphenyl)benzaldehyde is sourced from PubChem (CID 90346664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).