1-(7-propan-2-ylnaphthalen-1-yl)ethanone

C15H16O — CID 14250513

IUPAC1-(7-propan-2-ylnaphthalen-1-yl)ethanone
SMILESCC(=O)c1cccc2ccc(C(C)C)cc12
InChIInChI=1S/C15H16O/c1-10(2)13-8-7-12-5-4-6-14(11(3)16)15(12)9-13/h4-10H,1-3H3
InChIKeyBXMVFTMIPFXWQP-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.17
Rot. Bonds2

About 1-(7-propan-2-ylnaphthalen-1-yl)ethanone

1-(7-propan-2-ylnaphthalen-1-yl)ethanone (PubChem CID 14250513) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(7-propan-2-ylnaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-propan-2-ylnaphthalen-1-yl)ethanone
PubChem CID14250513
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-(7-propan-2-ylnaphthalen-1-yl)ethanone
SMILESCC(=O)c1cccc2ccc(C(C)C)cc12
InChIInChI=1S/C15H16O/c1-10(2)13-8-7-12-5-4-6-14(11(3)16)15(12)9-13/h4-10H,1-3H3
InChIKeyBXMVFTMIPFXWQP-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-ylnaphthalen-1-yl)ethanone?
The IUPAC name of 1-(7-propan-2-ylnaphthalen-1-yl)ethanone (CID 14250513) is 1-(7-propan-2-ylnaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(7-propan-2-ylnaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(7-propan-2-ylnaphthalen-1-yl)ethanone is CC(=O)c1cccc2ccc(C(C)C)cc12.
What is the InChIKey of 1-(7-propan-2-ylnaphthalen-1-yl)ethanone?
The InChIKey is BXMVFTMIPFXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-10(2)13-8-7-12-5-4-6-14(11(3)16)15(12)9-13/h4-10H,1-3H3.
What are the key properties of 1-(7-propan-2-ylnaphthalen-1-yl)ethanone?
1-(7-propan-2-ylnaphthalen-1-yl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-ylnaphthalen-1-yl)ethanone is sourced from PubChem (CID 14250513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).