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'}

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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).