2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan

C20H20O — CID 91277036

IUPAC2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan
SMILESCc1c(CCc2ccccc2)ccc(-c2ccco2)c1C
InChIInChI=1S/C20H20O/c1-15-16(2)19(20-9-6-14-21-20)13-12-18(15)11-10-17-7-4-3-5-8-17/h3-9,12-14H,10-11H2,1-2H3
InChIKeyWJIIUQZGEGXJMW-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.35
Rot. Bonds4

About 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan

2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan (PubChem CID 91277036) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan.

Molecular Properties

Compound Name2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan
PubChem CID91277036
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan
SMILESCc1c(CCc2ccccc2)ccc(-c2ccco2)c1C
InChIInChI=1S/C20H20O/c1-15-16(2)19(20-9-6-14-21-20)13-12-18(15)11-10-17-7-4-3-5-8-17/h3-9,12-14H,10-11H2,1-2H3
InChIKeyWJIIUQZGEGXJMW-UHFFFAOYSA-N
XLogP5.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan;propane-2-sulfinate
CID 91418271
2-[2-(3-phenylpropoxy)phenyl]furan
CID 168524939
N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline
CID 59230441
ethane;2-(2-methylphenyl)furan
CID 142082580
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
2-(4-butyl-2-methylphenyl)furan
CID 168524679
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
CID 22892261
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
CID 59876774
benzene;2-phenylethylbenzene
CID 18982764
2-(2,4-dibromo-3-methylphenyl)furan
CID 168526027
2-(2,3-difluoro-4-methylphenyl)furan
CID 168528076
ethane;methane;2-phenylethylbenzene
CID 158652330

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan?
The IUPAC name of 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan (CID 91277036) is 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan.
What is the SMILES notation for 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan?
The canonical SMILES for 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan is Cc1c(CCc2ccccc2)ccc(-c2ccco2)c1C.
What is the InChIKey of 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan?
The InChIKey is WJIIUQZGEGXJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-15-16(2)19(20-9-6-14-21-20)13-12-18(15)11-10-17-7-4-3-5-8-17/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan?
2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan has a molecular weight of 276.38 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan is sourced from PubChem (CID 91277036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).