2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol

C14H7Cl2FO2 — CID 107663435

IUPAC2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
SMILESOc1cc(Cl)c(-c2cc3cccc(F)c3o2)cc1Cl
InChIInChI=1S/C14H7Cl2FO2/c15-9-6-12(18)10(16)5-8(9)13-4-7-2-1-3-11(17)14(7)19-13/h1-6,18H
InChIKeyWXGMQTFZMQWMFU-UHFFFAOYSA-N
MW297.11 g/mol
LogP5.25
Rot. Bonds1

About 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol

2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol (PubChem CID 107663435) has the molecular formula C14H7Cl2FO2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
PubChem CID107663435
Molecular FormulaC14H7Cl2FO2
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
SMILESOc1cc(Cl)c(-c2cc3cccc(F)c3o2)cc1Cl
InChIInChI=1S/C14H7Cl2FO2/c15-9-6-12(18)10(16)5-8(9)13-4-7-2-1-3-11(17)14(7)19-13/h1-6,18H
InChIKeyWXGMQTFZMQWMFU-UHFFFAOYSA-N
XLogP5.25
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.11
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-4-(2-fluorophenyl)phenol
CID 107663319
4-fluoro-2-(7-fluoro-1-benzofuran-2-yl)benzoic acid
CID 114731735
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
CID 114734299
4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
CID 114732126
N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481
1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732472
4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
CID 114731967
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde
CID 122476342

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol?
The IUPAC name of 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol (CID 107663435) is 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol?
The canonical SMILES for 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol is Oc1cc(Cl)c(-c2cc3cccc(F)c3o2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol?
The InChIKey is WXGMQTFZMQWMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FO2/c15-9-6-12(18)10(16)5-8(9)13-4-7-2-1-3-11(17)14(7)19-13/h1-6,18H.
What are the key properties of 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol?
2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol has a molecular weight of 297.11 g/mol, XLogP of 5.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol is sourced from PubChem (CID 107663435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).