methyl 2-(6-bromonaphthalen-2-yl)propanoate

C14H13BrO2 — CID 154165948

IUPACmethyl 2-(6-bromonaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h3-9H,1-2H3
InChIKeyBSAYYTDVXJQRNT-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.88
Rot. Bonds2

About methyl 2-(6-bromonaphthalen-2-yl)propanoate

methyl 2-(6-bromonaphthalen-2-yl)propanoate (PubChem CID 154165948) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is methyl 2-(6-bromonaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(6-bromonaphthalen-2-yl)propanoate
PubChem CID154165948
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Namemethyl 2-(6-bromonaphthalen-2-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h3-9H,1-2H3
InChIKeyBSAYYTDVXJQRNT-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
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methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
CID 59253984
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
methyl 2-(3-bromo-4-propan-2-yloxyphenyl)propanoate
CID 105426774
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-[4-(4-bromophenyl)-3-(2-methoxy-2-oxoethyl)phenyl]propanoate
CID 175003668
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
methyl (2S)-2-(5-bromoindol-1-yl)propanoate
CID 118001554
methyl 2-(1H-indazol-6-yl)propanoate
CID 70809324

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromonaphthalen-2-yl)propanoate?
The IUPAC name of methyl 2-(6-bromonaphthalen-2-yl)propanoate (CID 154165948) is methyl 2-(6-bromonaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 2-(6-bromonaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 2-(6-bromonaphthalen-2-yl)propanoate is COC(=O)C(C)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of methyl 2-(6-bromonaphthalen-2-yl)propanoate?
The InChIKey is BSAYYTDVXJQRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-9(14(16)17-2)10-3-4-12-8-13(15)6-5-11(12)7-10/h3-9H,1-2H3.
What are the key properties of methyl 2-(6-bromonaphthalen-2-yl)propanoate?
methyl 2-(6-bromonaphthalen-2-yl)propanoate has a molecular weight of 293.16 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromonaphthalen-2-yl)propanoate is sourced from PubChem (CID 154165948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).