1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one

C20H22O2 — CID 158039804

IUPAC1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(CC(C)=O)c(C)c2)cc1C
InChIInChI=1S/C20H22O2/c1-13-9-19(7-5-17(13)11-15(3)21)20-8-6-18(12-16(4)22)14(2)10-20/h5-10H,11-12H2,1-4H3
InChIKeyAQUWQVPJBHWPFF-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.23
Rot. Bonds5

About 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one

1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one (PubChem CID 158039804) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one
PubChem CID158039804
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(CC(C)=O)c(C)c2)cc1C
InChIInChI=1S/C20H22O2/c1-13-9-19(7-5-17(13)11-15(3)21)20-8-6-18(12-16(4)22)14(2)10-20/h5-10H,11-12H2,1-4H3
InChIKeyAQUWQVPJBHWPFF-UHFFFAOYSA-N
XLogP4.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-hydroxyphenyl)-2-methylphenyl]acetic acid
CID 69250677
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene
CID 142206830
1-[4-(bromomethyl)-3-methylphenyl]propan-2-one
CID 131190669
N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide
CID 154786137
(2-methyl-4-pyridin-4-ylphenyl)methanol
CID 146405714
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-[4-methyl-3,5-bis(2-oxopropyl)phenyl]propan-2-one
CID 66898502
acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene
CID 70501688
1-(3-hydroxy-2-methoxy-4-methylphenyl)propan-2-one
CID 117284457
2-[[4-(4-hydroxyphenyl)-2-methylphenyl]methyl]benzamide
CID 142973168
methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
CID 174643019

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one?
The IUPAC name of 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one (CID 158039804) is 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one?
The canonical SMILES for 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one is CC(=O)Cc1ccc(-c2ccc(CC(C)=O)c(C)c2)cc1C.
What is the InChIKey of 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one?
The InChIKey is AQUWQVPJBHWPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-13-9-19(7-5-17(13)11-15(3)21)20-8-6-18(12-16(4)22)14(2)10-20/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one?
1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one has a molecular weight of 294.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one is sourced from PubChem (CID 158039804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).