2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan

C17H13ClO3 — CID 168527146

IUPAC2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan
SMILESCOc1ccc(Oc2ccc(-c3ccco3)cc2Cl)cc1
InChIInChI=1S/C17H13ClO3/c1-19-13-5-7-14(8-6-13)21-17-9-4-12(11-15(17)18)16-3-2-10-20-16/h2-11H,1H3
InChIKeyMMAXCRKDZRFEOA-UHFFFAOYSA-N
MW300.74 g/mol
LogP5.40
Rot. Bonds4

About 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan

2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan (PubChem CID 168527146) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan.

Molecular Properties

Compound Name2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan
PubChem CID168527146
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan
SMILESCOc1ccc(Oc2ccc(-c3ccco3)cc2Cl)cc1
InChIInChI=1S/C17H13ClO3/c1-19-13-5-7-14(8-6-13)21-17-9-4-12(11-15(17)18)16-3-2-10-20-16/h2-11H,1H3
InChIKeyMMAXCRKDZRFEOA-UHFFFAOYSA-N
XLogP5.40
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.74
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dichlorophenoxy)phenyl]furan
CID 168526554
2-[4-(2-chlorophenoxy)phenyl]furan
CID 168528835
3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168527041
2-(3-chloro-4-propoxyphenyl)furan
CID 168525179
2-[4-(3-methoxyphenoxy)phenyl]furan
CID 168524914
2-[2-chloro-4-(furan-2-yl)phenoxy]-6-(trifluoromethyl)pyridine
CID 168525596
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
5-[4-(furan-2-yl)-2-methylphenoxy]-2-methylpyridine
CID 168527769
2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
CID 168525465
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
2-(furan-2-yl)-3-(4-methoxyphenyl)furan
CID 175393326
2-(2-bromo-4-chloro-5-methoxyphenyl)furan
CID 168525902

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan?
The IUPAC name of 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan (CID 168527146) is 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan.
What is the SMILES notation for 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan?
The canonical SMILES for 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan is COc1ccc(Oc2ccc(-c3ccco3)cc2Cl)cc1.
What is the InChIKey of 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan?
The InChIKey is MMAXCRKDZRFEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c1-19-13-5-7-14(8-6-13)21-17-9-4-12(11-15(17)18)16-3-2-10-20-16/h2-11H,1H3.
What are the key properties of 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan?
2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan has a molecular weight of 300.74 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan is sourced from PubChem (CID 168527146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).