9-chlorobenzo[e][1]benzofuran

C12H7ClO — CID 176753779

IUPAC9-chlorobenzo[e][1]benzofuran
SMILESClc1cccc2ccc3occc3c12
InChIInChI=1S/C12H7ClO/c13-10-3-1-2-8-4-5-11-9(12(8)10)6-7-14-11/h1-7H
InChIKeyGIKHDNSHEJUDDV-UHFFFAOYSA-N
MW202.64 g/mol
LogP4.24
Rot. Bonds

About 9-chlorobenzo[e][1]benzofuran

9-chlorobenzo[e][1]benzofuran (PubChem CID 176753779) has the molecular formula C12H7ClO and a molecular weight of 202.64 g/mol. Its IUPAC name is 9-chlorobenzo[e][1]benzofuran.

Molecular Properties

Compound Name9-chlorobenzo[e][1]benzofuran
PubChem CID176753779
Molecular FormulaC12H7ClO
Molecular Weight202.64 g/mol
Exact Mass202.02
IUPAC Name9-chlorobenzo[e][1]benzofuran
SMILESClc1cccc2ccc3occc3c12
InChIInChI=1S/C12H7ClO/c13-10-3-1-2-8-4-5-11-9(12(8)10)6-7-14-11/h1-7H
InChIKeyGIKHDNSHEJUDDV-UHFFFAOYSA-N
XLogP4.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichlorophenanthrene
CID 123462675
benzo[e][1]benzofuran;N,N-dimethylmethanamine
CID 174542666
furo[2,3-h]isoquinolin-1-ylmethanamine
CID 82398400
1-chloroperylene;perylene
CID 175592023
1-(5-chloro-1-benzofuran-4-yl)cyclopropan-1-ol
CID 117298072
magnesium;4-methanidyl-1-benzofuran;chloride
CID 10797773
9-chloro-4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5(10),6,8,12,15,17,19(23),20-undecaene
CID 166846548
4-chloro-6-fluoro-1-benzofuran
CID 130062962
2-(1-benzofuran-5-yl)-8-chloro-3-ethylisoquinolin-1-one
CID 144543857
1-(5-chloro-1-benzofuran-4-yl)ethanol
CID 117286507
8-fluorobenzo[e][1]benzofuran
CID 101247142
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-8-chloronaphthalen-2-yl]oxy-dimethylsilane
CID 15437908

Frequently Asked Questions

What is the IUPAC name of 9-chlorobenzo[e][1]benzofuran?
The IUPAC name of 9-chlorobenzo[e][1]benzofuran (CID 176753779) is 9-chlorobenzo[e][1]benzofuran.
What is the SMILES notation for 9-chlorobenzo[e][1]benzofuran?
The canonical SMILES for 9-chlorobenzo[e][1]benzofuran is Clc1cccc2ccc3occc3c12.
What is the InChIKey of 9-chlorobenzo[e][1]benzofuran?
The InChIKey is GIKHDNSHEJUDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO/c13-10-3-1-2-8-4-5-11-9(12(8)10)6-7-14-11/h1-7H.
What are the key properties of 9-chlorobenzo[e][1]benzofuran?
9-chlorobenzo[e][1]benzofuran has a molecular weight of 202.64 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorobenzo[e][1]benzofuran is sourced from PubChem (CID 176753779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).