1-phenyl-4-phenylmethoxybutan-2-one

C17H18O2 — CID 134894703

IUPAC1-phenyl-4-phenylmethoxybutan-2-one
SMILESO=C(CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(13-15-7-3-1-4-8-15)11-12-19-14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyJDUJWIUSCLLGSG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.41
Rot. Bonds7

About 1-phenyl-4-phenylmethoxybutan-2-one

1-phenyl-4-phenylmethoxybutan-2-one (PubChem CID 134894703) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-phenyl-4-phenylmethoxybutan-2-one.

Molecular Properties

Compound Name1-phenyl-4-phenylmethoxybutan-2-one
PubChem CID134894703
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-phenyl-4-phenylmethoxybutan-2-one
SMILESO=C(CCOCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(13-15-7-3-1-4-8-15)11-12-19-14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyJDUJWIUSCLLGSG-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.41
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

3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
CID 139394409
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
1-phenylmethoxyhexane-3,4-dione
CID 561127
1,3-diphenyl(213C)propan-2-one
CID 100945080
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(3-phenylmethoxypropanoic acid)
CID 174146659
(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
CID 101149909
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
benzyl 10-oxo-11-phenylundecanoate
CID 170190928
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-phenylmethoxybutan-2-one?
The IUPAC name of 1-phenyl-4-phenylmethoxybutan-2-one (CID 134894703) is 1-phenyl-4-phenylmethoxybutan-2-one.
What is the SMILES notation for 1-phenyl-4-phenylmethoxybutan-2-one?
The canonical SMILES for 1-phenyl-4-phenylmethoxybutan-2-one is O=C(CCOCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-phenyl-4-phenylmethoxybutan-2-one?
The InChIKey is JDUJWIUSCLLGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(13-15-7-3-1-4-8-15)11-12-19-14-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 1-phenyl-4-phenylmethoxybutan-2-one?
1-phenyl-4-phenylmethoxybutan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-phenylmethoxybutan-2-one is sourced from PubChem (CID 134894703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).