(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol

C13H11ClO3S — CID 61087978

IUPAC(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOC(c1ccc(Cl)s1)C1COc2ccccc2O1
InChIInChI=1S/C13H11ClO3S/c14-12-6-5-11(18-12)13(15)10-7-16-8-3-1-2-4-9(8)17-10/h1-6,10,13,15H,7H2
InChIKeyBXNWIZMENZHLKO-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.27
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol

(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol (PubChem CID 61087978) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
PubChem CID61087978
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESOC(c1ccc(Cl)s1)C1COc2ccccc2O1
InChIInChI=1S/C13H11ClO3S/c14-12-6-5-11(18-12)13(15)10-7-16-8-3-1-2-4-9(8)17-10/h1-6,10,13,15H,7H2
InChIKeyBXNWIZMENZHLKO-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylthiophen-2-yl)methanol
CID 81158440
(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61081011
(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61272354
2-[bromo-(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63441694
2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol
CID 55006634
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65350657
(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 102763380
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
3-[chloro-(4,5-dibromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80534425
(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 65350710

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol (CID 61087978) is (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol is OC(c1ccc(Cl)s1)C1COc2ccccc2O1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The InChIKey is BXNWIZMENZHLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c14-12-6-5-11(18-12)13(15)10-7-16-8-3-1-2-4-9(8)17-10/h1-6,10,13,15H,7H2.
What are the key properties of (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol has a molecular weight of 282.75 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol is sourced from PubChem (CID 61087978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).