1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone

C19H22O2 — CID 63527517

IUPAC1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCCCCOc1ccc(C(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-3-4-13-21-18-11-9-17(10-12-18)19(20)14-16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyWNSJLBRBPGJJIB-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.60
Rot. Bonds7

About 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone

1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone (PubChem CID 63527517) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
PubChem CID63527517
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCCCCOc1ccc(C(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22O2/c1-3-4-13-21-18-11-9-17(10-12-18)19(20)14-16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyWNSJLBRBPGJJIB-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.60
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

1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
(4-methylphenyl) 4-butoxybenzoate
CID 23011518
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
[(2S)-octan-2-yl] 4-[2-(4-hexoxyphenyl)-2-oxoethyl]benzoate
CID 152787057
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
(4-pentoxyphenyl) 4-methylbenzoate
CID 58933293
2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone (CID 63527517) is 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone is CCCCOc1ccc(C(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is WNSJLBRBPGJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-4-13-21-18-11-9-17(10-12-18)19(20)14-16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone?
1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 63527517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).