1-(4-methoxyphenyl)-2-methylheptan-4-one

C15H22O2 — CID 83932106

IUPAC1-(4-methoxyphenyl)-2-methylheptan-4-one
SMILESCCCC(=O)CC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H22O2/c1-4-5-14(16)11-12(2)10-13-6-8-15(17-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyCGJGLXQQVDAMRY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.63
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-methylheptan-4-one

1-(4-methoxyphenyl)-2-methylheptan-4-one (PubChem CID 83932106) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methylheptan-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methylheptan-4-one
PubChem CID83932106
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(4-methoxyphenyl)-2-methylheptan-4-one
SMILESCCCC(=O)CC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C15H22O2/c1-4-5-14(16)11-12(2)10-13-6-8-15(17-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyCGJGLXQQVDAMRY-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
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3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
1-(5-bromo-2-methoxyphenyl)-2-methylheptan-4-one
CID 83933770
9-hydroxy-10-(4-methoxyphenyl)decan-5-one
CID 101095744
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
1-(2-ethoxy-5-ethylphenyl)-2-methylheptan-4-one
CID 83942574
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methylheptan-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-methylheptan-4-one (CID 83932106) is 1-(4-methoxyphenyl)-2-methylheptan-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methylheptan-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methylheptan-4-one is CCCC(=O)CC(C)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methylheptan-4-one?
The InChIKey is CGJGLXQQVDAMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-5-14(16)11-12(2)10-13-6-8-15(17-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methylheptan-4-one?
1-(4-methoxyphenyl)-2-methylheptan-4-one has a molecular weight of 234.34 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methylheptan-4-one is sourced from PubChem (CID 83932106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).