methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate

C14H13BrO3 — CID 28879850

IUPACmethyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
SMILESCOC(=O)CCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrO3/c1-17-14(16)6-7-18-13-5-3-10-8-12(15)4-2-11(10)9-13/h2-5,8-9H,6-7H2,1H3
InChIKeyXBQFJVKSAPFLIN-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.54
Rot. Bonds4

About methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate

methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate (PubChem CID 28879850) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
PubChem CID28879850
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Namemethyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
SMILESCOC(=O)CCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrO3/c1-17-14(16)6-7-18-13-5-3-10-8-12(15)4-2-11(10)9-13/h2-5,8-9H,6-7H2,1H3
InChIKeyXBQFJVKSAPFLIN-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(5-bromo-2-methylphenoxy)propanoate
CID 107283195
methyl 3-[4-[(6-bromo-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 57240170
methyl 3-(2-acetyl-4-bromophenoxy)propanoate
CID 63949521
methyl 3-[7-[(3,5-dichloro-2-pyridinyl)oxy]naphthalen-2-yl]oxypropanoate
CID 19995298
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
methyl 3-[2-(4-bromophenoxy)ethylsulfanyl]propanoate
CID 60643410
methyl 3-(2,4,6-tribromophenoxy)propanoate
CID 29005554
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate?
The IUPAC name of methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate (CID 28879850) is methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate.
What is the SMILES notation for methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate?
The canonical SMILES for methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate is COC(=O)CCOc1ccc2cc(Br)ccc2c1.
What is the InChIKey of methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate?
The InChIKey is XBQFJVKSAPFLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-17-14(16)6-7-18-13-5-3-10-8-12(15)4-2-11(10)9-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate?
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate has a molecular weight of 309.16 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate is sourced from PubChem (CID 28879850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).