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

C16H13ClO4 — CID 114743283

IUPAC(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESOC(c1cc(Cl)c2c(c1)OCO2)c1cccc2c1OCC2
InChIInChI=1S/C16H13ClO4/c17-12-6-10(7-13-16(12)21-8-20-13)14(18)11-3-1-2-9-4-5-19-15(9)11/h1-3,6-7,14,18H,4-5,8H2
InChIKeyZHHKTSZTXHGVCL-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.09
Rot. Bonds2

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

(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol (PubChem CID 114743283) has the molecular formula C16H13ClO4 and a molecular weight of 304.73 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
PubChem CID114743283
Molecular FormulaC16H13ClO4
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESOC(c1cc(Cl)c2c(c1)OCO2)c1cccc2c1OCC2
InChIInChI=1S/C16H13ClO4/c17-12-6-10(7-13-16(12)21-8-20-13)14(18)11-3-1-2-9-4-5-19-15(9)11/h1-3,6-7,14,18H,4-5,8H2
InChIKeyZHHKTSZTXHGVCL-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82771409
(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol
CID 63894459
1-benzofuran-2-yl-(7-chloro-1,3-benzodioxol-5-yl)methanol
CID 114723371
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol
CID 63894855
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol (CID 114743283) is (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol is OC(c1cc(Cl)c2c(c1)OCO2)c1cccc2c1OCC2.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
The InChIKey is ZHHKTSZTXHGVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO4/c17-12-6-10(7-13-16(12)21-8-20-13)14(18)11-3-1-2-9-4-5-19-15(9)11/h1-3,6-7,14,18H,4-5,8H2.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol?
(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol has a molecular weight of 304.73 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol is sourced from PubChem (CID 114743283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).