(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol

C16H13BrO2 — CID 139561217

IUPAC(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol
SMILESOCc1cc(Br)c2oc(Cc3ccccc3)cc2c1
InChIInChI=1S/C16H13BrO2/c17-15-8-12(10-18)6-13-9-14(19-16(13)15)7-11-4-2-1-3-5-11/h1-6,8-9,18H,7,10H2
InChIKeyJNQAFSGOILYAGW-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.28
Rot. Bonds3

About (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol

(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol (PubChem CID 139561217) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol
PubChem CID139561217
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol
SMILESOCc1cc(Br)c2oc(Cc3ccccc3)cc2c1
InChIInChI=1S/C16H13BrO2/c17-15-8-12(10-18)6-13-9-14(19-16(13)15)7-11-4-2-1-3-5-11/h1-6,8-9,18H,7,10H2
InChIKeyJNQAFSGOILYAGW-UHFFFAOYSA-N
XLogP4.28
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5,7-dimethyl-1-benzofuran
CID 132609124
2-benzyl-5-bromo-7-methoxy-1-benzofuran
CID 132548395
2-benzyl-7-fluoro-1-benzofuran-6-carbaldehyde
CID 177267063
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
CID 19918528
CID 156725475
CID 156725475
2-benzylfuro[2,3-b]pyridine
CID 10536385
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
phenylmethanol;tetrabromomethane
CID 174808232
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
phenylmethanol;tungsten
CID 166544439

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol?
The IUPAC name of (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol (CID 139561217) is (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol?
The canonical SMILES for (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol is OCc1cc(Br)c2oc(Cc3ccccc3)cc2c1.
What is the InChIKey of (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol?
The InChIKey is JNQAFSGOILYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c17-15-8-12(10-18)6-13-9-14(19-16(13)15)7-11-4-2-1-3-5-11/h1-6,8-9,18H,7,10H2.
What are the key properties of (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol?
(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol has a molecular weight of 317.18 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-7-bromo-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 139561217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).