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

C13H11ClO4 — CID 61081789

IUPAC(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol
SMILESOC(c1ccoc1)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C13H11ClO4/c14-10-6-12-11(17-3-4-18-12)5-9(10)13(15)8-1-2-16-7-8/h1-2,5-7,13,15H,3-4H2
InChIKeyXPTDEIFXLSYOPH-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.79
Rot. Bonds2

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

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol (PubChem CID 61081789) has the molecular formula C13H11ClO4 and a molecular weight of 266.68 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol
PubChem CID61081789
Molecular FormulaC13H11ClO4
Molecular Weight266.68 g/mol
Exact Mass266.03
IUPAC Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol
SMILESOC(c1ccoc1)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C13H11ClO4/c14-10-6-12-11(17-3-4-18-12)5-9(10)13(15)8-1-2-16-7-8/h1-2,5-7,13,15H,3-4H2
InChIKeyXPTDEIFXLSYOPH-UHFFFAOYSA-N
XLogP2.79
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-bromo-7-[chloro(furan-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61084213
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylfuran-2-yl)methanol
CID 61081396
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-chlorophenyl)methanol
CID 61081975
(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)-(5-chlorothiophen-2-yl)methanol
CID 62276704
(3-bromophenyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 61080813
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964190
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
(2,5-dichlorothiophen-3-yl)-(furan-3-yl)methanol
CID 61081034
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 81111283

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol?
The IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol (CID 61081789) is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol.
What is the SMILES notation for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol?
The canonical SMILES for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol is OC(c1ccoc1)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol?
The InChIKey is XPTDEIFXLSYOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO4/c14-10-6-12-11(17-3-4-18-12)5-9(10)13(15)8-1-2-16-7-8/h1-2,5-7,13,15H,3-4H2.
What are the key properties of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol?
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol has a molecular weight of 266.68 g/mol, XLogP of 2.79, 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)-(furan-3-yl)methanol is sourced from PubChem (CID 61081789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).