1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

C15H15BrO3 — CID 65445840

IUPAC1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESOC(CCc1ccc2c(c1)CCO2)c1ccc(Br)o1
InChIInChI=1S/C15H15BrO3/c16-15-6-5-14(19-15)12(17)3-1-10-2-4-13-11(9-10)7-8-18-13/h2,4-6,9,12,17H,1,3,7-8H2
InChIKeyUXZSENLRZAAPOO-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.64
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 65445840) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID65445840
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESOC(CCc1ccc2c(c1)CCO2)c1ccc(Br)o1
InChIInChI=1S/C15H15BrO3/c16-15-6-5-14(19-15)12(17)3-1-10-2-4-13-11(9-10)7-8-18-13/h2,4-6,9,12,17H,1,3,7-8H2
InChIKeyUXZSENLRZAAPOO-UHFFFAOYSA-N
XLogP3.64
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174
1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 65447392
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445130
1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445879
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxypropyl]cyclopentan-1-ol
CID 103448228
1-(5-chloro-1,3-thiazol-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 107125040
1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 105101170
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 65445840) is 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is OC(CCc1ccc2c(c1)CCO2)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is UXZSENLRZAAPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c16-15-6-5-14(19-15)12(17)3-1-10-2-4-13-11(9-10)7-8-18-13/h2,4-6,9,12,17H,1,3,7-8H2.
What are the key properties of 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 323.19 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 65445840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).