4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one

C18H20O2 — CID 104845102

IUPAC4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
SMILESCOc1ccc(CCC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-14(18(19)16-6-4-3-5-7-16)8-9-15-10-12-17(20-2)13-11-15/h3-7,10-14H,8-9H2,1-2H3
InChIKeyDRLQUQCBTCGKBN-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.15
Rot. Bonds6

About 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one

4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one (PubChem CID 104845102) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
PubChem CID104845102
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
SMILESCOc1ccc(CCC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-14(18(19)16-6-4-3-5-7-16)8-9-15-10-12-17(20-2)13-11-15/h3-7,10-14H,8-9H2,1-2H3
InChIKeyDRLQUQCBTCGKBN-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1,4-diphenylbutan-1-one
CID 11413736
(3-methyl-4-oxo-4-phenylbutyl) 4-methoxybenzoate
CID 102488196
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
6-(4-methoxyphenyl)hexan-2-yl benzoate
CID 175474709
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
3-(4-methoxyphenyl)-N-phenyl-N-propan-2-ylpropanamide
CID 87009451
(2R)-3-benzylsulfanyl-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 66559484
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
(2S)-4-(4-methoxyphenyl)-2-(methylcarbamoylamino)butanoic acid
CID 139604971
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one (CID 104845102) is 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one is COc1ccc(CCC(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one?
The InChIKey is DRLQUQCBTCGKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(18(19)16-6-4-3-5-7-16)8-9-15-10-12-17(20-2)13-11-15/h3-7,10-14H,8-9H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one?
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one is sourced from PubChem (CID 104845102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).