1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone

C20H20O — CID 114963038

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C2C3CCc4ccccc4C32)c1
InChIInChI=1S/C20H20O/c1-12-9-13(2)11-15(10-12)20(21)19-17-8-7-14-5-3-4-6-16(14)18(17)19/h3-6,9-11,17-19H,7-8H2,1-2H3
InChIKeyAIRYKDVQATWEME-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.46
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone (PubChem CID 114963038) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone
PubChem CID114963038
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C2C3CCc4ccccc4C32)c1
InChIInChI=1S/C20H20O/c1-12-9-13(2)11-15(10-12)20(21)19-17-8-7-14-5-3-4-6-16(14)18(17)19/h3-6,9-11,17-19H,7-8H2,1-2H3
InChIKeyAIRYKDVQATWEME-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone (CID 114963038) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)C2C3CCc4ccccc4C32)c1.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone?
The InChIKey is AIRYKDVQATWEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-12-9-13(2)11-15(10-12)20(21)19-17-8-7-14-5-3-4-6-16(14)18(17)19/h3-6,9-11,17-19H,7-8H2,1-2H3.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 114963038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).