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

C25H17ClO — CID 45112723

IUPAC1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene
SMILESClc1ccc(C2C=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1
InChIInChI=1S/C25H17ClO/c26-20-13-10-18(11-14-20)22-16-24(19-7-2-1-3-8-19)27-23-15-12-17-6-4-5-9-21(17)25(22)23/h1-16,22H
InChIKeyCNNVIFVIJHEUEZ-UHFFFAOYSA-N
MW368.86 g/mol
LogP7.06
Rot. Bonds2

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

1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene (PubChem CID 45112723) has the molecular formula C25H17ClO and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene
PubChem CID45112723
Molecular FormulaC25H17ClO
Molecular Weight368.86 g/mol
Exact Mass368.10
IUPAC Name1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene
SMILESClc1ccc(C2C=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1
InChIInChI=1S/C25H17ClO/c26-20-13-10-18(11-14-20)22-16-24(19-7-2-1-3-8-19)27-23-15-12-17-6-4-5-9-21(17)25(22)23/h1-16,22H
InChIKeyCNNVIFVIJHEUEZ-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 57.06
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-phenyl-1H-benzo[f]chromene?
The IUPAC name of 1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene (CID 45112723) is 1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene is Clc1ccc(C2C=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene?
The InChIKey is CNNVIFVIJHEUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClO/c26-20-13-10-18(11-14-20)22-16-24(19-7-2-1-3-8-19)27-23-15-12-17-6-4-5-9-21(17)25(22)23/h1-16,22H.
What are the key properties of 1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene?
1-(4-chlorophenyl)-3-phenyl-1H-benzo[f]chromene has a molecular weight of 368.86 g/mol, XLogP of 7.06, 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-phenyl-1H-benzo[f]chromene is sourced from PubChem (CID 45112723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).