4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde

C23H18ClFO2 — CID 175877796

IUPAC4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde
SMILESCOc1cc(C(F)=Cc2cccc(-c3ccccc3Cl)c2C)ccc1C=O
InChIInChI=1S/C23H18ClFO2/c1-15-16(6-5-8-19(15)20-7-3-4-9-21(20)24)12-22(25)17-10-11-18(14-26)23(13-17)27-2/h3-14H,1-2H3
InChIKeyCRBTYSRPFNGFMI-UHFFFAOYSA-N
MW380.85 g/mol
LogP6.60
Rot. Bonds5

About 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde

4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde (PubChem CID 175877796) has the molecular formula C23H18ClFO2 and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde
PubChem CID175877796
Molecular FormulaC23H18ClFO2
Molecular Weight380.85 g/mol
Exact Mass380.10
IUPAC Name4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde
SMILESCOc1cc(C(F)=Cc2cccc(-c3ccccc3Cl)c2C)ccc1C=O
InChIInChI=1S/C23H18ClFO2/c1-15-16(6-5-8-19(15)20-7-3-4-9-21(20)24)12-22(25)17-10-11-18(14-26)23(13-17)27-2/h3-14H,1-2H3
InChIKeyCRBTYSRPFNGFMI-UHFFFAOYSA-N
XLogP6.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.85
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde 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

7-chloro-2-[3-[3-[(Z)-2-fluoro-2-(4-formyl-3-methoxyphenyl)ethenyl]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazole-5-carbaldehyde
CID 146301288
methyl 7-chloro-2-[3-[3-[(Z)-2-fluoro-2-(3-methoxy-4-methoxycarbonylphenyl)ethenyl]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazole-5-carboxylate
CID 146301279
5-bromo-2-(2-chlorophenyl)-4-methoxybenzaldehyde
CID 87697435
4-chloro-N-[3-[3-[(Z)-2-fluoro-2-[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenyl]ethenyl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 146301203
5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224803
2-methoxy-4-(2-methoxybenzoyl)benzaldehyde
CID 10825897
3-(3-chloro-2-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 82039295
5-chloro-4-[[3-[3-[(2-chloro-4,5-dimethoxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxybenzaldehyde
CID 134294966
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
5-[[5-[(Z)-1-fluoro-2-[3-[3-[(Z)-2-fluoro-2-[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]ethenyl]-2-methylphenyl]-2-methylphenyl]ethenyl]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile
CID 146301102
propan-2-yl 2-[[4-[(Z)-1-fluoro-2-[3-[3-[[5-[[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]amino]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]ethenyl]-2-methoxyphenyl]methylamino]-3-hydroxypropanoate
CID 146301097
3-(3-chloro-2-methylphenyl)-4-methoxybenzaldehyde
CID 82039287

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde?
The IUPAC name of 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde (CID 175877796) is 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde.
What is the SMILES notation for 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde?
The canonical SMILES for 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde is COc1cc(C(F)=Cc2cccc(-c3ccccc3Cl)c2C)ccc1C=O.
What is the InChIKey of 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde?
The InChIKey is CRBTYSRPFNGFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFO2/c1-15-16(6-5-8-19(15)20-7-3-4-9-21(20)24)12-22(25)17-10-11-18(14-26)23(13-17)27-2/h3-14H,1-2H3.
What are the key properties of 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde?
4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde has a molecular weight of 380.85 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-chlorophenyl)-2-methylphenyl]-1-fluoroethenyl]-2-methoxybenzaldehyde is sourced from PubChem (CID 175877796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).