1-(4-methoxyphenyl)-3-propylhexan-2-one

C16H24O2 — CID 82986928

IUPAC1-(4-methoxyphenyl)-3-propylhexan-2-one
SMILESCCCC(CCC)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H24O2/c1-4-6-14(7-5-2)16(17)12-13-8-10-15(18-3)11-9-13/h8-11,14H,4-7,12H2,1-3H3
InChIKeyAIEBGSGAKXYRGQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.02
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-propylhexan-2-one

1-(4-methoxyphenyl)-3-propylhexan-2-one (PubChem CID 82986928) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-propylhexan-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-propylhexan-2-one
PubChem CID82986928
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-methoxyphenyl)-3-propylhexan-2-one
SMILESCCCC(CCC)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C16H24O2/c1-4-6-14(7-5-2)16(17)12-13-8-10-15(18-3)11-9-13/h8-11,14H,4-7,12H2,1-3H3
InChIKeyAIEBGSGAKXYRGQ-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
4-[(4-methoxyphenyl)methyl]hexan-3-one
CID 112507898
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-propylhexan-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-propylhexan-2-one (CID 82986928) is 1-(4-methoxyphenyl)-3-propylhexan-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-propylhexan-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-propylhexan-2-one is CCCC(CCC)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-propylhexan-2-one?
The InChIKey is AIEBGSGAKXYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-6-14(7-5-2)16(17)12-13-8-10-15(18-3)11-9-13/h8-11,14H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-propylhexan-2-one?
1-(4-methoxyphenyl)-3-propylhexan-2-one has a molecular weight of 248.37 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-propylhexan-2-one is sourced from PubChem (CID 82986928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).