1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one

C18H26O2 — CID 63952520

IUPAC1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
SMILESCC(C)Cc1ccc(C(=O)CCC2CCCCO2)cc1
InChIInChI=1S/C18H26O2/c1-14(2)13-15-6-8-16(9-7-15)18(19)11-10-17-5-3-4-12-20-17/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeySHAZGDDBMSENNE-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.42
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one

1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one (PubChem CID 63952520) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
PubChem CID63952520
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
SMILESCC(C)Cc1ccc(C(=O)CCC2CCCCO2)cc1
InChIInChI=1S/C18H26O2/c1-14(2)13-15-6-8-16(9-7-15)18(19)11-10-17-5-3-4-12-20-17/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeySHAZGDDBMSENNE-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154915
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
CID 106946697
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203
3-(oxan-2-yl)-1-(1H-pyrrol-3-yl)propan-1-one
CID 63952125
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 115785484
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one (CID 63952520) is 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one is CC(C)Cc1ccc(C(=O)CCC2CCCCO2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one?
The InChIKey is SHAZGDDBMSENNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14(2)13-15-6-8-16(9-7-15)18(19)11-10-17-5-3-4-12-20-17/h6-9,14,17H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one?
1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one has a molecular weight of 274.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 63952520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).