3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one

C17H13ClO3 — CID 23463125

IUPAC3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
SMILESO=C1C=C(c2ccc(Cl)cc2OCc2ccccc2)CO1
InChIInChI=1S/C17H13ClO3/c18-14-6-7-15(13-8-17(19)21-11-13)16(9-14)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyZTRGMUNHCUSBPI-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.86
Rot. Bonds4

About 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one

3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one (PubChem CID 23463125) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
PubChem CID23463125
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
SMILESO=C1C=C(c2ccc(Cl)cc2OCc2ccccc2)CO1
InChIInChI=1S/C17H13ClO3/c18-14-6-7-15(13-8-17(19)21-11-13)16(9-14)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyZTRGMUNHCUSBPI-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one (CID 23463125) is 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one is O=C1C=C(c2ccc(Cl)cc2OCc2ccccc2)CO1.
What is the InChIKey of 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one?
The InChIKey is ZTRGMUNHCUSBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c18-14-6-7-15(13-8-17(19)21-11-13)16(9-14)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one?
3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one has a molecular weight of 300.74 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 23463125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).