3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran

C24H17ClO3 — CID 139574666

IUPAC3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran
SMILESCOc1ccc(COc2ccc3cc4c(cc3c2)oc2cc(Cl)ccc24)cc1
InChIInChI=1S/C24H17ClO3/c1-26-19-6-2-15(3-7-19)14-27-20-8-4-16-11-22-21-9-5-18(25)13-24(21)28-23(22)12-17(16)10-20/h2-13H,14H2,1H3
InChIKeyPHSJWJVFDWFPBL-UHFFFAOYSA-N
MW388.85 g/mol
LogP6.98
Rot. Bonds4

About 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran

3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran (PubChem CID 139574666) has the molecular formula C24H17ClO3 and a molecular weight of 388.85 g/mol. Its IUPAC name is 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran
PubChem CID139574666
Molecular FormulaC24H17ClO3
Molecular Weight388.85 g/mol
Exact Mass388.09
IUPAC Name3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran
SMILESCOc1ccc(COc2ccc3cc4c(cc3c2)oc2cc(Cl)ccc24)cc1
InChIInChI=1S/C24H17ClO3/c1-26-19-6-2-15(3-7-19)14-27-20-8-4-16-11-22-21-9-5-18(25)13-24(21)28-23(22)12-17(16)10-20/h2-13H,14H2,1H3
InChIKeyPHSJWJVFDWFPBL-UHFFFAOYSA-N
XLogP6.98
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran (CID 139574666) is 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran is COc1ccc(COc2ccc3cc4c(cc3c2)oc2cc(Cl)ccc24)cc1.
What is the InChIKey of 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran?
The InChIKey is PHSJWJVFDWFPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClO3/c1-26-19-6-2-15(3-7-19)14-27-20-8-4-16-11-22-21-9-5-18(25)13-24(21)28-23(22)12-17(16)10-20/h2-13H,14H2,1H3.
What are the key properties of 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran?
3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran has a molecular weight of 388.85 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 139574666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).