(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol

C18H16BrClO3 — CID 137498556

IUPAC(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOC(c1ccc2c(c1)CCCO2)c1cc(Br)c2c(c1Cl)CCO2
InChIInChI=1S/C18H16BrClO3/c19-14-9-13(16(20)12-5-7-23-18(12)14)17(21)11-3-4-15-10(8-11)2-1-6-22-15/h3-4,8-9,17,21H,1-2,5-7H2
InChIKeyKWVJRBVOACMGLU-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.44
Rot. Bonds2

About (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol

(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol (PubChem CID 137498556) has the molecular formula C18H16BrClO3 and a molecular weight of 395.68 g/mol. Its IUPAC name is (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol.

Molecular Properties

Compound Name(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol
PubChem CID137498556
Molecular FormulaC18H16BrClO3
Molecular Weight395.68 g/mol
Exact Mass394.00
IUPAC Name(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOC(c1ccc2c(c1)CCCO2)c1cc(Br)c2c(c1Cl)CCO2
InChIInChI=1S/C18H16BrClO3/c19-14-9-13(16(20)12-5-7-23-18(12)14)17(21)11-3-4-15-10(8-11)2-1-6-22-15/h3-4,8-9,17,21H,1-2,5-7H2
InChIKeyKWVJRBVOACMGLU-UHFFFAOYSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 106761361
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 62199956
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465

Frequently Asked Questions

What is the IUPAC name of (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The IUPAC name of (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol (CID 137498556) is (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol.
What is the SMILES notation for (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The canonical SMILES for (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol is OC(c1ccc2c(c1)CCCO2)c1cc(Br)c2c(c1Cl)CCO2.
What is the InChIKey of (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The InChIKey is KWVJRBVOACMGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClO3/c19-14-9-13(16(20)12-5-7-23-18(12)14)17(21)11-3-4-15-10(8-11)2-1-6-22-15/h3-4,8-9,17,21H,1-2,5-7H2.
What are the key properties of (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol has a molecular weight of 395.68 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol is sourced from PubChem (CID 137498556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).