1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one

C16H15BrO — CID 114978147

IUPAC1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
SMILESO=C(CCC1CC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrO/c17-15-7-6-12-9-14(5-4-13(12)10-15)16(18)8-3-11-1-2-11/h4-7,9-11H,1-3,8H2
InChIKeyUJSDHTCRMQCIKB-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.98
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one

1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one (PubChem CID 114978147) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
PubChem CID114978147
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
SMILESO=C(CCC1CC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H15BrO/c17-15-7-6-12-9-14(5-4-13(12)10-15)16(18)8-3-11-1-2-11/h4-7,9-11H,1-3,8H2
InChIKeyUJSDHTCRMQCIKB-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one
CID 114978332
3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
CID 114978303
1-(7-bromonaphthalen-2-yl)-3-chloropropan-1-one
CID 14452955
CID 88938269
CID 88938269
1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962828
1-(6-bromonaphthalen-2-yl)-4-methylsulfonylbutan-1-one
CID 114965038
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
1-(4-amino-3-chlorophenyl)-3-cyclopropylpropan-1-one
CID 116581916
1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 114978342
3-cyclopropyl-1-(3-iodophenyl)propan-1-one
CID 114978242
3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120689631
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one (CID 114978147) is 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one is O=C(CCC1CC1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one?
The InChIKey is UJSDHTCRMQCIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c17-15-7-6-12-9-14(5-4-13(12)10-15)16(18)8-3-11-1-2-11/h4-7,9-11H,1-3,8H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one?
1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one has a molecular weight of 303.20 g/mol, XLogP of 4.98, 4 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)-3-cyclopropylpropan-1-one is sourced from PubChem (CID 114978147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).