2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene

C19H11Cl2FO — CID 177496318

IUPAC2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene
SMILESFc1ccc(-c2ccc3c(c2Cl)-c2cc(Cl)ccc2OC3)cc1
InChIInChI=1S/C19H11Cl2FO/c20-13-4-8-17-16(9-13)18-12(10-23-17)3-7-15(19(18)21)11-1-5-14(22)6-2-11/h1-9H,10H2
InChIKeyHQZSPZVYJWTTAR-UHFFFAOYSA-N
MW345.20 g/mol
LogP6.36
Rot. Bonds1

About 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene

2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene (PubChem CID 177496318) has the molecular formula C19H11Cl2FO and a molecular weight of 345.20 g/mol. Its IUPAC name is 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene.

Molecular Properties

Compound Name2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene
PubChem CID177496318
Molecular FormulaC19H11Cl2FO
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene
SMILESFc1ccc(-c2ccc3c(c2Cl)-c2cc(Cl)ccc2OC3)cc1
InChIInChI=1S/C19H11Cl2FO/c20-13-4-8-17-16(9-13)18-12(10-23-17)3-7-15(19(18)21)11-1-5-14(22)6-2-11/h1-9H,10H2
InChIKeyHQZSPZVYJWTTAR-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.20
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene?
The IUPAC name of 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene (CID 177496318) is 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene.
What is the SMILES notation for 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene?
The canonical SMILES for 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene is Fc1ccc(-c2ccc3c(c2Cl)-c2cc(Cl)ccc2OC3)cc1.
What is the InChIKey of 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene?
The InChIKey is HQZSPZVYJWTTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FO/c20-13-4-8-17-16(9-13)18-12(10-23-17)3-7-15(19(18)21)11-1-5-14(22)6-2-11/h1-9H,10H2.
What are the key properties of 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene?
2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene has a molecular weight of 345.20 g/mol, XLogP of 6.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dichloro-9-(4-fluorophenyl)-6H-benzo[c]chromene is sourced from PubChem (CID 177496318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).