(2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one

C18H24O2 — CID 101165716

IUPAC(2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one
SMILESCCCCCCC[C@H]1OC(=O)C=C1c1ccc(C)cc1
InChIInChI=1S/C18H24O2/c1-3-4-5-6-7-8-17-16(13-18(19)20-17)15-11-9-14(2)10-12-15/h9-13,17H,3-8H2,1-2H3/t17-/m1/s1
InChIKeyRUWHUYBDSRFNQH-QGZVFWFLSA-N
MW272.39 g/mol
LogP4.66
Rot. Bonds7

About (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one

(2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one (PubChem CID 101165716) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one
PubChem CID101165716
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one
SMILESCCCCCCC[C@H]1OC(=O)C=C1c1ccc(C)cc1
InChIInChI=1S/C18H24O2/c1-3-4-5-6-7-8-17-16(13-18(19)20-17)15-11-9-14(2)10-12-15/h9-13,17H,3-8H2,1-2H3/t17-/m1/s1
InChIKeyRUWHUYBDSRFNQH-QGZVFWFLSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one
CID 141028984
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
3-(4-butylsulfanylphenyl)-2-hydroxy-2H-furan-5-one
CID 19375031
(2R,3S)-2-heptyl-3-hydroxy-4-methyl-2,3-dihydropyran-6-one
CID 163115213
3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one
CID 134933455
6-(4-methylphenyl)-3-octyloxan-2-one
CID 21247555
(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
CID 129405234
formaldehyde;hexane;1,4-xylene
CID 143308406
2-[11-[butyl(methyl)amino]undecyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
CID 15229305
1-methyl-4-octylbenzene
CID 11052746
3-methyl-2-nonyl-2H-naphthalen-1-one
CID 141348039
4-methylidene-3-octylisochromen-1-one
CID 10826080

Frequently Asked Questions

What is the IUPAC name of (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one?
The IUPAC name of (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one (CID 101165716) is (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one?
The canonical SMILES for (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one is CCCCCCC[C@H]1OC(=O)C=C1c1ccc(C)cc1.
What is the InChIKey of (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one?
The InChIKey is RUWHUYBDSRFNQH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-4-5-6-7-8-17-16(13-18(19)20-17)15-11-9-14(2)10-12-15/h9-13,17H,3-8H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one?
(2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one has a molecular weight of 272.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one is sourced from PubChem (CID 101165716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).