8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol

C13H16ClNO2 — CID 82188575

IUPAC8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2c(Cl)cccc2C1N1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-5-3-4-9-12(15-6-1-2-7-15)11(16)8-17-13(9)10/h3-5,11-12,16H,1-2,6-8H2
InChIKeyXWPMZMGYFPBNIH-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.23
Rot. Bonds1

About 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol

8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188575) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188575
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2c(Cl)cccc2C1N1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-5-3-4-9-12(15-6-1-2-7-15)11(16)8-17-13(9)10/h3-5,11-12,16H,1-2,6-8H2
InChIKeyXWPMZMGYFPBNIH-UHFFFAOYSA-N
XLogP2.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188560
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188651
6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188650
8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol
CID 82188571
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 82188387
8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785
8-chloro-3,4-dihydro-2H-chromene-4-thiol
CID 130760391
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367
8-chloro-3-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186909

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol (CID 82188575) is 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol is OC1COc2c(Cl)cccc2C1N1CCCC1.
What is the InChIKey of 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is XWPMZMGYFPBNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-5-3-4-9-12(15-6-1-2-7-15)11(16)8-17-13(9)10/h3-5,11-12,16H,1-2,6-8H2.
What are the key properties of 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 253.73 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).