3-methyl-6-phenylmethoxyhexan-2-one

C14H20O2 — CID 15686946

IUPAC3-methyl-6-phenylmethoxyhexan-2-one
SMILESCC(=O)C(C)CCCOCc1ccccc1
InChIInChI=1S/C14H20O2/c1-12(13(2)15)7-6-10-16-11-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyYAFANKBWTLZPSA-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.21
Rot. Bonds7

About 3-methyl-6-phenylmethoxyhexan-2-one

3-methyl-6-phenylmethoxyhexan-2-one (PubChem CID 15686946) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-methyl-6-phenylmethoxyhexan-2-one.

Molecular Properties

Compound Name3-methyl-6-phenylmethoxyhexan-2-one
PubChem CID15686946
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-methyl-6-phenylmethoxyhexan-2-one
SMILESCC(=O)C(C)CCCOCc1ccccc1
InChIInChI=1S/C14H20O2/c1-12(13(2)15)7-6-10-16-11-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyYAFANKBWTLZPSA-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.21
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

4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
3-methyl-6-phenylhexan-2-one
CID 59396975
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
acetic acid;butoxymethylbenzene
CID 139463153
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenylmethoxyhexan-2-one?
The IUPAC name of 3-methyl-6-phenylmethoxyhexan-2-one (CID 15686946) is 3-methyl-6-phenylmethoxyhexan-2-one.
What is the SMILES notation for 3-methyl-6-phenylmethoxyhexan-2-one?
The canonical SMILES for 3-methyl-6-phenylmethoxyhexan-2-one is CC(=O)C(C)CCCOCc1ccccc1.
What is the InChIKey of 3-methyl-6-phenylmethoxyhexan-2-one?
The InChIKey is YAFANKBWTLZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(13(2)15)7-6-10-16-11-14-8-4-3-5-9-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3.
What are the key properties of 3-methyl-6-phenylmethoxyhexan-2-one?
3-methyl-6-phenylmethoxyhexan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenylmethoxyhexan-2-one is sourced from PubChem (CID 15686946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).