3-[chloro-(4-phenylphenyl)methyl]furan

C17H13ClO — CID 55197732

IUPAC3-[chloro-(4-phenylphenyl)methyl]furan
SMILESClC(c1ccc(-c2ccccc2)cc1)c1ccoc1
InChIInChI=1S/C17H13ClO/c18-17(16-10-11-19-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,17H
InChIKeyUPSHHIKXKDOADY-UHFFFAOYSA-N
MW268.74 g/mol
LogP5.27
Rot. Bonds3

About 3-[chloro-(4-phenylphenyl)methyl]furan

3-[chloro-(4-phenylphenyl)methyl]furan (PubChem CID 55197732) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-[chloro-(4-phenylphenyl)methyl]furan.

Molecular Properties

Compound Name3-[chloro-(4-phenylphenyl)methyl]furan
PubChem CID55197732
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name3-[chloro-(4-phenylphenyl)methyl]furan
SMILESClC(c1ccc(-c2ccccc2)cc1)c1ccoc1
InChIInChI=1S/C17H13ClO/c18-17(16-10-11-19-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,17H
InChIKeyUPSHHIKXKDOADY-UHFFFAOYSA-N
XLogP5.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.74
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(4-phenylphenyl)methyl]furan?
The IUPAC name of 3-[chloro-(4-phenylphenyl)methyl]furan (CID 55197732) is 3-[chloro-(4-phenylphenyl)methyl]furan.
What is the SMILES notation for 3-[chloro-(4-phenylphenyl)methyl]furan?
The canonical SMILES for 3-[chloro-(4-phenylphenyl)methyl]furan is ClC(c1ccc(-c2ccccc2)cc1)c1ccoc1.
What is the InChIKey of 3-[chloro-(4-phenylphenyl)methyl]furan?
The InChIKey is UPSHHIKXKDOADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c18-17(16-10-11-19-12-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,17H.
What are the key properties of 3-[chloro-(4-phenylphenyl)methyl]furan?
3-[chloro-(4-phenylphenyl)methyl]furan has a molecular weight of 268.74 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-phenylphenyl)methyl]furan is sourced from PubChem (CID 55197732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).