1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene

C26H19ClO — CID 142767658

IUPAC1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene
SMILESCc1ccc(C2=CC(c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C26H19ClO/c1-17-6-8-20(9-7-17)25-16-23(19-10-13-21(27)14-11-19)26-22-5-3-2-4-18(22)12-15-24(26)28-25/h2-16,23H,1H3
InChIKeyQDXVDFNNGVSTBJ-UHFFFAOYSA-N
MW382.89 g/mol
LogP7.37
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene

1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene (PubChem CID 142767658) has the molecular formula C26H19ClO and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene
PubChem CID142767658
Molecular FormulaC26H19ClO
Molecular Weight382.89 g/mol
Exact Mass382.11
IUPAC Name1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene
SMILESCc1ccc(C2=CC(c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C26H19ClO/c1-17-6-8-20(9-7-17)25-16-23(19-10-13-21(27)14-11-19)26-22-5-3-2-4-18(22)12-15-24(26)28-25/h2-16,23H,1H3
InChIKeyQDXVDFNNGVSTBJ-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene (CID 142767658) is 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene is Cc1ccc(C2=CC(c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene?
The InChIKey is QDXVDFNNGVSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClO/c1-17-6-8-20(9-7-17)25-16-23(19-10-13-21(27)14-11-19)26-22-5-3-2-4-18(22)12-15-24(26)28-25/h2-16,23H,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene?
1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene has a molecular weight of 382.89 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene is sourced from PubChem (CID 142767658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).