4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one

C15H15BrO2 — CID 146007341

IUPAC4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
SMILESCOc1ccc2cc(C(=O)CCCBr)ccc2c1
InChIInChI=1S/C15H15BrO2/c1-18-14-7-6-11-9-13(5-4-12(11)10-14)15(17)3-2-8-16/h4-7,9-10H,2-3,8H2,1H3
InChIKeyCYRXUYUXPNSYHV-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.21
Rot. Bonds5

About 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one

4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one (PubChem CID 146007341) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one.

Molecular Properties

Compound Name4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
PubChem CID146007341
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
SMILESCOc1ccc2cc(C(=O)CCCBr)ccc2c1
InChIInChI=1S/C15H15BrO2/c1-18-14-7-6-11-9-13(5-4-12(11)10-14)15(17)3-2-8-16/h4-7,9-10H,2-3,8H2,1H3
InChIKeyCYRXUYUXPNSYHV-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
5-bromo-1-(4-methoxy-2-methylphenyl)pentan-1-one
CID 146007236
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one
CID 157305755
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
4-bromo-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-one
CID 146005406
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one?
The IUPAC name of 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one (CID 146007341) is 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one.
What is the SMILES notation for 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one?
The canonical SMILES for 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one is COc1ccc2cc(C(=O)CCCBr)ccc2c1.
What is the InChIKey of 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one?
The InChIKey is CYRXUYUXPNSYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-18-14-7-6-11-9-13(5-4-12(11)10-14)15(17)3-2-8-16/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one?
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one has a molecular weight of 307.19 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one is sourced from PubChem (CID 146007341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).