1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol

C16H11ClO4 — CID 114723371

IUPAC1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol
SMILESOC(c1cc(Cl)c2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C16H11ClO4/c17-11-5-10(7-14-16(11)20-8-19-14)15(18)13-6-9-3-1-2-4-12(9)21-13/h1-7,15,18H,8H2
InChIKeyQHZPINAOBYWPID-UHFFFAOYSA-N
MW302.71 g/mol
LogP3.90
Rot. Bonds2

About 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol

1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol (PubChem CID 114723371) has the molecular formula C16H11ClO4 and a molecular weight of 302.71 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol
PubChem CID114723371
Molecular FormulaC16H11ClO4
Molecular Weight302.71 g/mol
Exact Mass302.03
IUPAC Name1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol
SMILESOC(c1cc(Cl)c2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C16H11ClO4/c17-11-5-10(7-14-16(11)20-8-19-14)15(18)13-6-9-3-1-2-4-12(9)21-13/h1-7,15,18H,8H2
InChIKeyQHZPINAOBYWPID-UHFFFAOYSA-N
XLogP3.90
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(7-bromo-1,3-benzodioxol-5-yl)methanol
CID 114723309
(E)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 9368536
(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743283
1-(7-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 63895238
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82771409
1-benzofuran-2-yl-(3,4-difluorophenyl)methanol
CID 63089375
(2S)-2-amino-2-(7-chloro-1,3-benzodioxol-5-yl)ethanol
CID 93471728
1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
CID 107103499
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol
CID 63894855
1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
CID 105128806
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
CID 63090768

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol (CID 114723371) is 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol is OC(c1cc(Cl)c2c(c1)OCO2)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol?
The InChIKey is QHZPINAOBYWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO4/c17-11-5-10(7-14-16(11)20-8-19-14)15(18)13-6-9-3-1-2-4-12(9)21-13/h1-7,15,18H,8H2.
What are the key properties of 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol?
1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol has a molecular weight of 302.71 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol is sourced from PubChem (CID 114723371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).