3-methyl-2-[(E)-2-phenylethenyl]furan

C13H12O — CID 135005840

IUPAC3-methyl-2-[(E)-2-phenylethenyl]furan
SMILESCc1ccoc1/C=C/c1ccccc1
InChIInChI=1S/C13H12O/c1-11-9-10-14-13(11)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
InChIKeyGPKFLFQJFQFCDA-BQYQJAHWSA-N
MW184.24 g/mol
LogP3.76
Rot. Bonds2

About 3-methyl-2-[(E)-2-phenylethenyl]furan

3-methyl-2-[(E)-2-phenylethenyl]furan (PubChem CID 135005840) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-2-[(E)-2-phenylethenyl]furan.

Molecular Properties

Compound Name3-methyl-2-[(E)-2-phenylethenyl]furan
PubChem CID135005840
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name3-methyl-2-[(E)-2-phenylethenyl]furan
SMILESCc1ccoc1/C=C/c1ccccc1
InChIInChI=1S/C13H12O/c1-11-9-10-14-13(11)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
InChIKeyGPKFLFQJFQFCDA-BQYQJAHWSA-N
XLogP3.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]furan?
The IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]furan (CID 135005840) is 3-methyl-2-[(E)-2-phenylethenyl]furan.
What is the SMILES notation for 3-methyl-2-[(E)-2-phenylethenyl]furan?
The canonical SMILES for 3-methyl-2-[(E)-2-phenylethenyl]furan is Cc1ccoc1/C=C/c1ccccc1.
What is the InChIKey of 3-methyl-2-[(E)-2-phenylethenyl]furan?
The InChIKey is GPKFLFQJFQFCDA-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H12O/c1-11-9-10-14-13(11)8-7-12-5-3-2-4-6-12/h2-10H,1H3/b8-7+.
What are the key properties of 3-methyl-2-[(E)-2-phenylethenyl]furan?
3-methyl-2-[(E)-2-phenylethenyl]furan has a molecular weight of 184.24 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-2-phenylethenyl]furan is sourced from PubChem (CID 135005840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).