(4-methoxyphenyl)methyl 2-bromoacetate

C10H11BrO3 — CID 10587465

IUPAC(4-methoxyphenyl)methyl 2-bromoacetate
SMILESCOc1ccc(CO[13C](=O)[13CH2]Br)cc1
InChIInChI=1S/C10H11BrO3/c1-13-9-4-2-8(3-5-9)7-14-10(12)6-11/h2-5H,6-7H2,1H3/i6+1,10+1
InChIKeyVTVNOEAMXCXKGD-UFYQYTSASA-N
MW261.08 g/mol
LogP2.13
Rot. Bonds4

About (4-methoxyphenyl)methyl 2-bromoacetate

(4-methoxyphenyl)methyl 2-bromoacetate (PubChem CID 10587465) has the molecular formula C10H11BrO3 and a molecular weight of 261.08 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-bromoacetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-bromoacetate
PubChem CID10587465
Molecular FormulaC10H11BrO3
Molecular Weight261.08 g/mol
Exact Mass260.00
IUPAC Name(4-methoxyphenyl)methyl 2-bromoacetate
SMILESCOc1ccc(CO[13C](=O)[13CH2]Br)cc1
InChIInChI=1S/C10H11BrO3/c1-13-9-4-2-8(3-5-9)7-14-10(12)6-11/h2-5H,6-7H2,1H3/i6+1,10+1
InChIKeyVTVNOEAMXCXKGD-UFYQYTSASA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
4-[(2-bromoacetyl)oxymethyl]benzoate
CID 154609513
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818
[4-(N-methoxy-C-methylcarbonimidoyl)phenyl]methyl 2-bromoacetate
CID 173355646
bis[(4-methoxyphenyl)methyl] 2-aminopentanedioate;hydrochloride
CID 155891056
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008
(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-bromoacetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-bromoacetate (CID 10587465) is (4-methoxyphenyl)methyl 2-bromoacetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-bromoacetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-bromoacetate is COc1ccc(CO[13C](=O)[13CH2]Br)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-bromoacetate?
The InChIKey is VTVNOEAMXCXKGD-UFYQYTSASA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-9-4-2-8(3-5-9)7-14-10(12)6-11/h2-5H,6-7H2,1H3/i6+1,10+1.
What are the key properties of (4-methoxyphenyl)methyl 2-bromoacetate?
(4-methoxyphenyl)methyl 2-bromoacetate has a molecular weight of 261.08 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-bromoacetate is sourced from PubChem (CID 10587465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).