2-(4-chlorophenyl)-4-(4-methylphenyl)furan

C17H13ClO — CID 12827072

IUPAC2-(4-chlorophenyl)-4-(4-methylphenyl)furan
SMILESCc1ccc(-c2coc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C17H13ClO/c1-12-2-4-13(5-3-12)15-10-17(19-11-15)14-6-8-16(18)9-7-14/h2-11H,1H3
InChIKeyUMTVNNYSZVCBRH-UHFFFAOYSA-N
MW268.74 g/mol
LogP5.58
Rot. Bonds2

About 2-(4-chlorophenyl)-4-(4-methylphenyl)furan

2-(4-chlorophenyl)-4-(4-methylphenyl)furan (PubChem CID 12827072) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-methylphenyl)furan.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-methylphenyl)furan
PubChem CID12827072
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name2-(4-chlorophenyl)-4-(4-methylphenyl)furan
SMILESCc1ccc(-c2coc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C17H13ClO/c1-12-2-4-13(5-3-12)15-10-17(19-11-15)14-6-8-16(18)9-7-14/h2-11H,1H3
InChIKeyUMTVNNYSZVCBRH-UHFFFAOYSA-N
XLogP5.58
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.74
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
CID 10756387
1-chloro-4-methylbenzene;zinc
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CID 90450640
2-[5-(4-chlorophenyl)furan-3-yl]ethanol
CID 175140902
4-(4-chlorophenyl)furan-2-carbaldehyde
CID 71424930
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
CID 23597856
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)
CID 11986165
1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane
CID 144971692
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529
5-[4-(4-chlorophenyl)phenyl]-1,3-oxazole
CID 21408358

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-methylphenyl)furan?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-methylphenyl)furan (CID 12827072) is 2-(4-chlorophenyl)-4-(4-methylphenyl)furan.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-methylphenyl)furan?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-methylphenyl)furan is Cc1ccc(-c2coc(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-methylphenyl)furan?
The InChIKey is UMTVNNYSZVCBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c1-12-2-4-13(5-3-12)15-10-17(19-11-15)14-6-8-16(18)9-7-14/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-methylphenyl)furan?
2-(4-chlorophenyl)-4-(4-methylphenyl)furan has a molecular weight of 268.74 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-methylphenyl)furan is sourced from PubChem (CID 12827072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).