1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone

C19H22O3 — CID 68974432

IUPAC1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
SMILESCOc1cc(OC)c(C(C)C)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C19H22O3/c1-13(2)15-11-16(19(22-4)12-18(15)21-3)17(20)10-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3
InChIKeyDFQLHCXFCBGQIZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.25
Rot. Bonds6

About 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone

1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone (PubChem CID 68974432) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
PubChem CID68974432
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
SMILESCOc1cc(OC)c(C(C)C)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C19H22O3/c1-13(2)15-11-16(19(22-4)12-18(15)21-3)17(20)10-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3
InChIKeyDFQLHCXFCBGQIZ-UHFFFAOYSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone
CID 68971573
1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 58914630
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone?
The IUPAC name of 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone (CID 68974432) is 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone is COc1cc(OC)c(C(C)C)cc1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone?
The InChIKey is DFQLHCXFCBGQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-13(2)15-11-16(19(22-4)12-18(15)21-3)17(20)10-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone?
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone has a molecular weight of 298.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone is sourced from PubChem (CID 68974432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).