5-bromo-2-methylidene-3H-1-benzofuran-3-ol

C9H7BrO2 — CID 139256754

IUPAC5-bromo-2-methylidene-3H-1-benzofuran-3-ol
SMILESC=C1Oc2ccc(Br)cc2C1O
InChIInChI=1S/C9H7BrO2/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4,9,11H,1H2
InChIKeyIPGCXIOTSBATPY-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.39
Rot. Bonds

About 5-bromo-2-methylidene-3H-1-benzofuran-3-ol

5-bromo-2-methylidene-3H-1-benzofuran-3-ol (PubChem CID 139256754) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-2-methylidene-3H-1-benzofuran-3-ol.

Molecular Properties

Compound Name5-bromo-2-methylidene-3H-1-benzofuran-3-ol
PubChem CID139256754
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name5-bromo-2-methylidene-3H-1-benzofuran-3-ol
SMILESC=C1Oc2ccc(Br)cc2C1O
InChIInChI=1S/C9H7BrO2/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4,9,11H,1H2
InChIKeyIPGCXIOTSBATPY-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1226589
4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol
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CID 104951380
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CID 67447010
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661
(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381670
(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381669
(1S,2R)-5,21-dibromo-9,17-dioxa-11,15-diazapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-3(8),4,6,18(23),19,21-hexaene-10,16-dione
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylidene-3H-1-benzofuran-3-ol?
The IUPAC name of 5-bromo-2-methylidene-3H-1-benzofuran-3-ol (CID 139256754) is 5-bromo-2-methylidene-3H-1-benzofuran-3-ol.
What is the SMILES notation for 5-bromo-2-methylidene-3H-1-benzofuran-3-ol?
The canonical SMILES for 5-bromo-2-methylidene-3H-1-benzofuran-3-ol is C=C1Oc2ccc(Br)cc2C1O.
What is the InChIKey of 5-bromo-2-methylidene-3H-1-benzofuran-3-ol?
The InChIKey is IPGCXIOTSBATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c1-5-9(11)7-4-6(10)2-3-8(7)12-5/h2-4,9,11H,1H2.
What are the key properties of 5-bromo-2-methylidene-3H-1-benzofuran-3-ol?
5-bromo-2-methylidene-3H-1-benzofuran-3-ol has a molecular weight of 227.06 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylidene-3H-1-benzofuran-3-ol is sourced from PubChem (CID 139256754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).