3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran

C23H15ClO2 — CID 177459326

IUPAC3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
SMILESCOc1ccc(-c2cc3oc4ccccc4c3c3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H15ClO2/c1-25-16-9-6-14(7-10-16)19-13-22-23(17-11-8-15(24)12-20(17)19)18-4-2-3-5-21(18)26-22/h2-13H,1H3
InChIKeyUDNBVDRLBIHLTA-UHFFFAOYSA-N
MW358.82 g/mol
LogP7.07
Rot. Bonds2

About 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran

3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran (PubChem CID 177459326) has the molecular formula C23H15ClO2 and a molecular weight of 358.82 g/mol. Its IUPAC name is 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
PubChem CID177459326
Molecular FormulaC23H15ClO2
Molecular Weight358.82 g/mol
Exact Mass358.08
IUPAC Name3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
SMILESCOc1ccc(-c2cc3oc4ccccc4c3c3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H15ClO2/c1-25-16-9-6-14(7-10-16)19-13-22-23(17-11-8-15(24)12-20(17)19)18-4-2-3-5-21(18)26-22/h2-13H,1H3
InChIKeyUDNBVDRLBIHLTA-UHFFFAOYSA-N
XLogP7.07
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.82
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
17-(4-methoxyphenyl)-35-(4-methylphenyl)-7,25-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.022,34.024,32.026,31]hexatriaconta-1,3,5,8,10,12,14,16,18,20,22(34),23,26,28,30,32,35-heptadecaene
CID 89416968
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
2-[6-(1-benzofuran-2-yl)-3,8-bis(4-methoxyphenyl)pyren-1-yl]-1-benzofuran
CID 59390327
5-chloro-6-(4-methoxyphenyl)naphtho[1,2-b][1]benzofuran
CID 102287044
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
5-(4-isocyanophenyl)naphtho[2,1-b][1]benzofuran
CID 89027124
[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
CID 12535905
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 176765434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran (CID 177459326) is 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran is COc1ccc(-c2cc3oc4ccccc4c3c3ccc(Cl)cc23)cc1.
What is the InChIKey of 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran?
The InChIKey is UDNBVDRLBIHLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClO2/c1-25-16-9-6-14(7-10-16)19-13-22-23(17-11-8-15(24)12-20(17)19)18-4-2-3-5-21(18)26-22/h2-13H,1H3.
What are the key properties of 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran?
3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran has a molecular weight of 358.82 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 177459326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).