methane;4-(3-methylphenyl)benzaldehyde

C15H16O — CID 143253676

IUPACmethane;4-(3-methylphenyl)benzaldehyde
SMILESC.Cc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C14H12O.CH4/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13;/h2-10H,1H3;1H4
InChIKeyXQOPACQJVYPOAP-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.11
Rot. Bonds2

About methane;4-(3-methylphenyl)benzaldehyde

methane;4-(3-methylphenyl)benzaldehyde (PubChem CID 143253676) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is methane;4-(3-methylphenyl)benzaldehyde.

Molecular Properties

Compound Namemethane;4-(3-methylphenyl)benzaldehyde
PubChem CID143253676
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Namemethane;4-(3-methylphenyl)benzaldehyde
SMILESC.Cc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C14H12O.CH4/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13;/h2-10H,1H3;1H4
InChIKeyXQOPACQJVYPOAP-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.11
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

methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
ethane;1-methyl-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
3,5-dimethoxy-4-(3-methylphenyl)benzaldehyde
CID 87212227
ethene;1-methyl-3-phenylbenzene
CID 142622149
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286

Frequently Asked Questions

What is the IUPAC name of methane;4-(3-methylphenyl)benzaldehyde?
The IUPAC name of methane;4-(3-methylphenyl)benzaldehyde (CID 143253676) is methane;4-(3-methylphenyl)benzaldehyde.
What is the SMILES notation for methane;4-(3-methylphenyl)benzaldehyde?
The canonical SMILES for methane;4-(3-methylphenyl)benzaldehyde is C.Cc1cccc(-c2ccc(C=O)cc2)c1.
What is the InChIKey of methane;4-(3-methylphenyl)benzaldehyde?
The InChIKey is XQOPACQJVYPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.CH4/c1-11-3-2-4-14(9-11)13-7-5-12(10-15)6-8-13;/h2-10H,1H3;1H4.
What are the key properties of methane;4-(3-methylphenyl)benzaldehyde?
methane;4-(3-methylphenyl)benzaldehyde has a molecular weight of 212.29 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(3-methylphenyl)benzaldehyde is sourced from PubChem (CID 143253676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).