10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene

C17H11ClOS — CID 177393825

IUPAC10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene
SMILESClc1c(-c2ccsc2)ccc2c1-c1ccccc1OC2
InChIInChI=1S/C17H11ClOS/c18-17-13(12-7-8-20-10-12)6-5-11-9-19-15-4-2-1-3-14(15)16(11)17/h1-8,10H,9H2
InChIKeyGWIGHDOWPIDNOW-UHFFFAOYSA-N
MW298.79 g/mol
LogP5.63
Rot. Bonds1

About 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene

10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene (PubChem CID 177393825) has the molecular formula C17H11ClOS and a molecular weight of 298.79 g/mol. Its IUPAC name is 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene.

Molecular Properties

Compound Name10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene
PubChem CID177393825
Molecular FormulaC17H11ClOS
Molecular Weight298.79 g/mol
Exact Mass298.02
IUPAC Name10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene
SMILESClc1c(-c2ccsc2)ccc2c1-c1ccccc1OC2
InChIInChI=1S/C17H11ClOS/c18-17-13(12-7-8-20-10-12)6-5-11-9-19-15-4-2-1-3-14(15)16(11)17/h1-8,10H,9H2
InChIKeyGWIGHDOWPIDNOW-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.79
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene?
The IUPAC name of 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene (CID 177393825) is 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene.
What is the SMILES notation for 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene?
The canonical SMILES for 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene is Clc1c(-c2ccsc2)ccc2c1-c1ccccc1OC2.
What is the InChIKey of 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene?
The InChIKey is GWIGHDOWPIDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClOS/c18-17-13(12-7-8-20-10-12)6-5-11-9-19-15-4-2-1-3-14(15)16(11)17/h1-8,10H,9H2.
What are the key properties of 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene?
10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene has a molecular weight of 298.79 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-9-thiophen-3-yl-6H-benzo[c]chromene is sourced from PubChem (CID 177393825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).