(3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol

C14H13ClO2S — CID 107361957

IUPAC(3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
SMILESOC(c1sccc1Cl)C1OCCc2ccccc21
InChIInChI=1S/C14H13ClO2S/c15-11-6-8-18-14(11)12(16)13-10-4-2-1-3-9(10)5-7-17-13/h1-4,6,8,12-13,16H,5,7H2
InChIKeyRCOHAGGTQDCGGL-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.75
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol

(3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol (PubChem CID 107361957) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
PubChem CID107361957
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name(3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
SMILESOC(c1sccc1Cl)C1OCCc2ccccc21
InChIInChI=1S/C14H13ClO2S/c15-11-6-8-18-14(11)12(16)13-10-4-2-1-3-9(10)5-7-17-13/h1-4,6,8,12-13,16H,5,7H2
InChIKeyRCOHAGGTQDCGGL-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol 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

1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 115809638
(3,4-dichlorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105133287
3,4-dihydro-1H-isochromen-1-yl(phenyl)methanol
CID 15526486
(3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 107361599
(3-bromo-2,6-difluorophenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 106945182
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105100583
2-(2,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 105086757
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115809602
3,4-dihydro-1H-isochromen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 105120022
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105085210

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol (CID 107361957) is (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol is OC(c1sccc1Cl)C1OCCc2ccccc21.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
The InChIKey is RCOHAGGTQDCGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c15-11-6-8-18-14(11)12(16)13-10-4-2-1-3-9(10)5-7-17-13/h1-4,6,8,12-13,16H,5,7H2.
What are the key properties of (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol?
(3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol has a molecular weight of 280.78 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanol is sourced from PubChem (CID 107361957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).