1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one

C20H17BrO2 — CID 54856242

IUPAC1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(C)C(=O)c3cccc(Br)c3)ccc2c1
InChIInChI=1S/C20H17BrO2/c1-13(20(22)17-4-3-5-18(21)11-17)14-6-7-16-12-19(23-2)9-8-15(16)10-14/h3-13H,1-2H3
InChIKeyWWWGFICREGYSIQ-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.60
Rot. Bonds4

About 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one

1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one (PubChem CID 54856242) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
PubChem CID54856242
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(C)C(=O)c3cccc(Br)c3)ccc2c1
InChIInChI=1S/C20H17BrO2/c1-13(20(22)17-4-3-5-18(21)11-17)14-6-7-16-12-19(23-2)9-8-15(16)10-14/h3-13H,1-2H3
InChIKeyWWWGFICREGYSIQ-UHFFFAOYSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 71423704
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxyphenyl)methyl]benzamide
CID 2526949
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
CID 63443947
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(5-bromonaphthalen-2-yl) (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 97104193
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one (CID 54856242) is 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one is COc1ccc2cc(C(C)C(=O)c3cccc(Br)c3)ccc2c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
The InChIKey is WWWGFICREGYSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO2/c1-13(20(22)17-4-3-5-18(21)11-17)14-6-7-16-12-19(23-2)9-8-15(16)10-14/h3-13H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one?
1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one has a molecular weight of 369.26 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(6-methoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 54856242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).