2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C20H22O — CID 63490239

IUPAC2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)CCCC3)cc1C
InChIInChI=1S/C20H22O/c1-14-7-8-16(11-15(14)2)12-20(21)19-10-9-17-5-3-4-6-18(17)13-19/h7-11,13H,3-6,12H2,1-2H3
InChIKeySAOZJQHCJUXGDG-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.61
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 63490239) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID63490239
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)CCCC3)cc1C
InChIInChI=1S/C20H22O/c1-14-7-8-16(11-15(14)2)12-20(21)19-10-9-17-5-3-4-6-18(17)13-19/h7-11,13H,3-6,12H2,1-2H3
InChIKeySAOZJQHCJUXGDG-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
CID 157120935
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
2-(3-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 43338181
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
CID 43413658
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 63490239) is 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is Cc1ccc(CC(=O)c2ccc3c(c2)CCCC3)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is SAOZJQHCJUXGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-14-7-8-16(11-15(14)2)12-20(21)19-10-9-17-5-3-4-6-18(17)13-19/h7-11,13H,3-6,12H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 278.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 63490239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).