5-chloronaphtho[1,2-b][1]benzofuran

C16H9ClO — CID 163580167

IUPAC5-chloronaphtho[1,2-b][1]benzofuran
SMILESClc1cc2c3ccccc3oc2c2ccccc12
InChIInChI=1S/C16H9ClO/c17-14-9-13-11-6-3-4-8-15(11)18-16(13)12-7-2-1-5-10(12)14/h1-9H
InChIKeyGGWFBUAEQFQXKQ-UHFFFAOYSA-N
MW252.70 g/mol
LogP5.39
Rot. Bonds

About 5-chloronaphtho[1,2-b][1]benzofuran

5-chloronaphtho[1,2-b][1]benzofuran (PubChem CID 163580167) has the molecular formula C16H9ClO and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chloronaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-chloronaphtho[1,2-b][1]benzofuran
PubChem CID163580167
Molecular FormulaC16H9ClO
Molecular Weight252.70 g/mol
Exact Mass252.03
IUPAC Name5-chloronaphtho[1,2-b][1]benzofuran
SMILESClc1cc2c3ccccc3oc2c2ccccc12
InChIInChI=1S/C16H9ClO/c17-14-9-13-11-6-3-4-8-15(11)18-16(13)12-7-2-1-5-10(12)14/h1-9H
InChIKeyGGWFBUAEQFQXKQ-UHFFFAOYSA-N
XLogP5.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.70
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chlorodibenzofuran-2-ol
CID 170647423
4,15,27,38-tetraoxatridecacyclo[23.21.1.12,13.03,11.05,10.014,22.016,21.026,34.028,33.036,47.037,45.039,44.024,48]octatetraconta-1(47),2,5,7,9,11,13,16,18,20,22,24(48),25,28,30,32,34,36,39,41,43,45-docosaene
CID 90365819
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
7-chloro-5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran
CID 167440876
9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one
CID 146209783
4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde
CID 146209946
12-chloro-3-oxa-24-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene
CID 126656053
2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
CID 147143483
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
3-bromo-2-chlorodibenzofuran
CID 154949827
2-chloro-3-phenyldibenzofuran
CID 166918311

Frequently Asked Questions

What is the IUPAC name of 5-chloronaphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-chloronaphtho[1,2-b][1]benzofuran (CID 163580167) is 5-chloronaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-chloronaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-chloronaphtho[1,2-b][1]benzofuran is Clc1cc2c3ccccc3oc2c2ccccc12.
What is the InChIKey of 5-chloronaphtho[1,2-b][1]benzofuran?
The InChIKey is GGWFBUAEQFQXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClO/c17-14-9-13-11-6-3-4-8-15(11)18-16(13)12-7-2-1-5-10(12)14/h1-9H.
What are the key properties of 5-chloronaphtho[1,2-b][1]benzofuran?
5-chloronaphtho[1,2-b][1]benzofuran has a molecular weight of 252.70 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloronaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 163580167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).