2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol

C17H16BrClO2 — CID 115830952

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)cc3c2OCC3)ccc1Cl
InChIInChI=1S/C17H16BrClO2/c1-10-6-11(2-3-15(10)19)16(20)9-13-8-14(18)7-12-4-5-21-17(12)13/h2-3,6-8,16,20H,4-5,9H2,1H3
InChIKeyFIYPYZXSGRIXJH-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.62
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol (PubChem CID 115830952) has the molecular formula C17H16BrClO2 and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
PubChem CID115830952
Molecular FormulaC17H16BrClO2
Molecular Weight367.67 g/mol
Exact Mass366.00
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)cc3c2OCC3)ccc1Cl
InChIInChI=1S/C17H16BrClO2/c1-10-6-11(2-3-15(10)19)16(20)9-13-8-14(18)7-12-4-5-21-17(12)13/h2-3,6-8,16,20H,4-5,9H2,1H3
InChIKeyFIYPYZXSGRIXJH-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502934
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408228
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
CID 115830926
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115830920
2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115784984
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103217068
1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102829850
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115830773
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol (CID 115830952) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol is Cc1cc(C(O)Cc2cc(Br)cc3c2OCC3)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol?
The InChIKey is FIYPYZXSGRIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO2/c1-10-6-11(2-3-15(10)19)16(20)9-13-8-14(18)7-12-4-5-21-17(12)13/h2-3,6-8,16,20H,4-5,9H2,1H3.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol has a molecular weight of 367.67 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol is sourced from PubChem (CID 115830952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).