1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one

C14H13BrO — CID 114962080

IUPAC1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrO/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-9H,1-2H3
InChIKeyNFUXNUOBPPZQRA-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.44
Rot. Bonds2

About 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one

1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one (PubChem CID 114962080) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
PubChem CID114962080
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrO/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-9H,1-2H3
InChIKeyNFUXNUOBPPZQRA-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one (CID 114962080) is 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one?
The InChIKey is NFUXNUOBPPZQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-9(2)14(16)12-4-3-11-8-13(15)6-5-10(11)7-12/h3-9H,1-2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one?
1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one has a molecular weight of 277.16 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 114962080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).