2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

C17H17BrO3 — CID 65327998

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H17BrO3/c1-20-14-3-4-15(18)13(9-14)10-16(19)11-2-5-17-12(8-11)6-7-21-17/h2-5,8-9,16,19H,6-7,10H2,1H3
InChIKeyXZUHQTLEXCMEEV-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 65327998) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID65327998
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H17BrO3/c1-20-14-3-4-15(18)13(9-14)10-16(19)11-2-5-17-12(8-11)6-7-21-17/h2-5,8-9,16,19H,6-7,10H2,1H3
InChIKeyXZUHQTLEXCMEEV-UHFFFAOYSA-N
XLogP3.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 62199757
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 65327757
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 115801375
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide
CID 100692806
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 65327998) is 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is COc1ccc(Br)c(CC(O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is XZUHQTLEXCMEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-20-14-3-4-15(18)13(9-14)10-16(19)11-2-5-17-12(8-11)6-7-21-17/h2-5,8-9,16,19H,6-7,10H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 349.22 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 65327998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).