ethane;2-methyl-5-(4-propylphenyl)furan

C16H22O — CID 169195789

IUPACethane;2-methyl-5-(4-propylphenyl)furan
SMILESCC.CCCc1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C14H16O.C2H6/c1-3-4-12-6-8-13(9-7-12)14-10-5-11(2)15-14;1-2/h5-10H,3-4H2,1-2H3;1-2H3
InChIKeyFWHCNQXGQKSVAR-UHFFFAOYSA-N
MW230.35 g/mol
LogP5.23
Rot. Bonds3

About ethane;2-methyl-5-(4-propylphenyl)furan

ethane;2-methyl-5-(4-propylphenyl)furan (PubChem CID 169195789) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;2-methyl-5-(4-propylphenyl)furan.

Molecular Properties

Compound Nameethane;2-methyl-5-(4-propylphenyl)furan
PubChem CID169195789
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Nameethane;2-methyl-5-(4-propylphenyl)furan
SMILESCC.CCCc1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C14H16O.C2H6/c1-3-4-12-6-8-13(9-7-12)14-10-5-11(2)15-14;1-2/h5-10H,3-4H2,1-2H3;1-2H3
InChIKeyFWHCNQXGQKSVAR-UHFFFAOYSA-N
XLogP5.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.35
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(4-propylphenyl)furan?
The IUPAC name of ethane;2-methyl-5-(4-propylphenyl)furan (CID 169195789) is ethane;2-methyl-5-(4-propylphenyl)furan.
What is the SMILES notation for ethane;2-methyl-5-(4-propylphenyl)furan?
The canonical SMILES for ethane;2-methyl-5-(4-propylphenyl)furan is CC.CCCc1ccc(-c2ccc(C)o2)cc1.
What is the InChIKey of ethane;2-methyl-5-(4-propylphenyl)furan?
The InChIKey is FWHCNQXGQKSVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C2H6/c1-3-4-12-6-8-13(9-7-12)14-10-5-11(2)15-14;1-2/h5-10H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(4-propylphenyl)furan?
ethane;2-methyl-5-(4-propylphenyl)furan has a molecular weight of 230.35 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(4-propylphenyl)furan is sourced from PubChem (CID 169195789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).