4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol

C30H30O4 — CID 159042728

IUPAC4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
SMILESCOc1ccc(-c2ccc(C=O)cc2)cc1C.COc1ccc(-c2ccc(CO)cc2)cc1C
InChIInChI=1S/C15H16O2.C15H14O2/c2*1-11-9-14(7-8-15(11)17-2)13-5-3-12(10-16)4-6-13/h3-9,16H,10H2,1-2H3;3-10H,1-2H3
InChIKeyJWGQTTFKRPGEEV-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.65
Rot. Bonds6

About 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol

4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol (PubChem CID 159042728) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
PubChem CID159042728
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Name4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
SMILESCOc1ccc(-c2ccc(C=O)cc2)cc1C.COc1ccc(-c2ccc(CO)cc2)cc1C
InChIInChI=1S/C15H16O2.C15H14O2/c2*1-11-9-14(7-8-15(11)17-2)13-5-3-12(10-16)4-6-13/h3-9,16H,10H2,1-2H3;3-10H,1-2H3
InChIKeyJWGQTTFKRPGEEV-UHFFFAOYSA-N
XLogP6.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol 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

4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
(NE)-N-[[4-(4-methoxy-3-methylphenyl)phenyl]methylidene]hydroxylamine
CID 135329420
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
CID 160602999
2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile
CID 82044296
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
4-(4-formyl-N-[4-[4-(4-methoxy-N-(4-methoxy-3-methylphenyl)anilino)phenyl]phenyl]anilino)-2-methylbenzaldehyde
CID 58205438
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol (CID 159042728) is 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol is COc1ccc(-c2ccc(C=O)cc2)cc1C.COc1ccc(-c2ccc(CO)cc2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol?
The InChIKey is JWGQTTFKRPGEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C15H14O2/c2*1-11-9-14(7-8-15(11)17-2)13-5-3-12(10-16)4-6-13/h3-9,16H,10H2,1-2H3;3-10H,1-2H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol?
4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol has a molecular weight of 454.57 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol is sourced from PubChem (CID 159042728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).