(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol

C13H10Cl2O3S — CID 62276704

IUPAC(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol
SMILESOC(c1ccc(Cl)s1)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C13H10Cl2O3S/c14-8-6-10-9(17-3-4-18-10)5-7(8)13(16)11-1-2-12(15)19-11/h1-2,5-6,13,16H,3-4H2
InChIKeyUBRXNNQPFWQPOV-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.91
Rot. Bonds2

About (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol (PubChem CID 62276704) has the molecular formula C13H10Cl2O3S and a molecular weight of 317.19 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol
PubChem CID62276704
Molecular FormulaC13H10Cl2O3S
Molecular Weight317.19 g/mol
Exact Mass315.97
IUPAC Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol
SMILESOC(c1ccc(Cl)s1)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C13H10Cl2O3S/c14-8-6-10-9(17-3-4-18-10)5-7(8)13(16)11-1-2-12(15)19-11/h1-2,5-6,13,16H,3-4H2
InChIKeyUBRXNNQPFWQPOV-UHFFFAOYSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964190
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-thiophen-2-ylmethanol
CID 61081382
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol
CID 61081789
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-fluorophenyl)methanol
CID 82876026
(5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 107964192
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylfuran-2-yl)methanol
CID 61081396
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 55050628
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 81111283
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3,3-trifluoropropan-1-ol
CID 61082788
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-chlorophenyl)methanol
CID 61081975

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol?
The IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol (CID 62276704) is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol?
The canonical SMILES for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol is OC(c1ccc(Cl)s1)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol?
The InChIKey is UBRXNNQPFWQPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O3S/c14-8-6-10-9(17-3-4-18-10)5-7(8)13(16)11-1-2-12(15)19-11/h1-2,5-6,13,16H,3-4H2.
What are the key properties of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol?
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol has a molecular weight of 317.19 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 62276704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).