(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

C15H11BrClFO2 — CID 106761361

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H11BrClFO2/c16-11-3-2-10(14(18)13(11)17)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7,15,19H,5-6H2
InChIKeyOZQQSGXQQIXPTB-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.26
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 106761361) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID106761361
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H11BrClFO2/c16-11-3-2-10(14(18)13(11)17)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7,15,19H,5-6H2
InChIKeyOZQQSGXQQIXPTB-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 62199956
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 137498556
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
4-bromo-2,3-dichloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 107787470

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 106761361) is (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)CCO2)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is OZQQSGXQQIXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-11-3-2-10(14(18)13(11)17)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7,15,19H,5-6H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 357.61 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 106761361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).