(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol

C15H17BrO2 — CID 115402974

IUPAC(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol
SMILESCC(C)c1cc(Br)cc2cc(C(O)C3CC3)oc12
InChIInChI=1S/C15H17BrO2/c1-8(2)12-7-11(16)5-10-6-13(18-15(10)12)14(17)9-3-4-9/h5-9,14,17H,3-4H2,1-2H3
InChIKeyIGCBSPBZODSYTO-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.76
Rot. Bonds3

About (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol

(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol (PubChem CID 115402974) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol.

Molecular Properties

Compound Name(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol
PubChem CID115402974
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol
SMILESCC(C)c1cc(Br)cc2cc(C(O)C3CC3)oc12
InChIInChI=1S/C15H17BrO2/c1-8(2)12-7-11(16)5-10-6-13(18-15(10)12)14(17)9-3-4-9/h5-9,14,17H,3-4H2,1-2H3
InChIKeyIGCBSPBZODSYTO-UHFFFAOYSA-N
XLogP4.76
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
1-(5-bromo-7-chloro-1-benzofuran-2-yl)ethanol
CID 65440694
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 115402991
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-ol
CID 15350188
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 113303050
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
cyclopentyl-(4,5-dibromofuran-2-yl)methanol
CID 63895593
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 105130101
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(oxan-4-yl)methanol
CID 113425147

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol?
The IUPAC name of (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol (CID 115402974) is (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol.
What is the SMILES notation for (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol?
The canonical SMILES for (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol is CC(C)c1cc(Br)cc2cc(C(O)C3CC3)oc12.
What is the InChIKey of (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol?
The InChIKey is IGCBSPBZODSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-8(2)12-7-11(16)5-10-6-13(18-15(10)12)14(17)9-3-4-9/h5-9,14,17H,3-4H2,1-2H3.
What are the key properties of (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol?
(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol has a molecular weight of 309.20 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-propan-2-yl-1-benzofuran-2-yl)-cyclopropylmethanol is sourced from PubChem (CID 115402974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).