[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol

C14H14ClNOS — CID 81252902

IUPAC[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol
SMILESOCc1ccccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H14ClNOS/c15-14-7-10-12(5-6-13(10)18-14)16-11-4-2-1-3-9(11)8-17/h1-4,7,12,16-17H,5-6,8H2
InChIKeyZKOSHFPGJUDIAO-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.99
Rot. Bonds3

About [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol

[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol (PubChem CID 81252902) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol
PubChem CID81252902
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol
SMILESOCc1ccccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H14ClNOS/c15-14-7-10-12(5-6-13(10)18-14)16-11-4-2-1-3-9(11)8-17/h1-4,7,12,16-17H,5-6,8H2
InChIKeyZKOSHFPGJUDIAO-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol?
The IUPAC name of [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol (CID 81252902) is [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol?
The canonical SMILES for [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol is OCc1ccccc1NC1CCc2sc(Cl)cc21.
What is the InChIKey of [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol?
The InChIKey is ZKOSHFPGJUDIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-14-7-10-12(5-6-13(10)18-14)16-11-4-2-1-3-9(11)8-17/h1-4,7,12,16-17H,5-6,8H2.
What are the key properties of [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol?
[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol has a molecular weight of 279.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 81252902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).