4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol

C14H12ClNOS — CID 21350367

IUPAC4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol
SMILESOc1ccc(C2CCC(c3sccc3Cl)=N2)cc1
InChIInChI=1S/C14H12ClNOS/c15-11-7-8-18-14(11)13-6-5-12(16-13)9-1-3-10(17)4-2-9/h1-4,7-8,12,17H,5-6H2
InChIKeyLDCQPKTYEUJQRR-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.43
Rot. Bonds2

About 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol

4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol (PubChem CID 21350367) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol
PubChem CID21350367
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol
SMILESOc1ccc(C2CCC(c3sccc3Cl)=N2)cc1
InChIInChI=1S/C14H12ClNOS/c15-11-7-8-18-14(11)13-6-5-12(16-13)9-1-3-10(17)4-2-9/h1-4,7-8,12,17H,5-6H2
InChIKeyLDCQPKTYEUJQRR-UHFFFAOYSA-N
XLogP4.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol?
The IUPAC name of 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol (CID 21350367) is 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol.
What is the SMILES notation for 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol?
The canonical SMILES for 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol is Oc1ccc(C2CCC(c3sccc3Cl)=N2)cc1.
What is the InChIKey of 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol?
The InChIKey is LDCQPKTYEUJQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-11-7-8-18-14(11)13-6-5-12(16-13)9-1-3-10(17)4-2-9/h1-4,7-8,12,17H,5-6H2.
What are the key properties of 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol?
4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol has a molecular weight of 277.78 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-pyrrol-2-yl]phenol is sourced from PubChem (CID 21350367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).