(4-bromophenyl)methyl 2,5-dimethoxybenzoate

C16H15BrO4 — CID 43024000

IUPAC(4-bromophenyl)methyl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO4/c1-19-13-7-8-15(20-2)14(9-13)16(18)21-10-11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3
InChIKeyKTMQHOBTAHKFAQ-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.82
Rot. Bonds5

About (4-bromophenyl)methyl 2,5-dimethoxybenzoate

(4-bromophenyl)methyl 2,5-dimethoxybenzoate (PubChem CID 43024000) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2,5-dimethoxybenzoate
PubChem CID43024000
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name(4-bromophenyl)methyl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO4/c1-19-13-7-8-15(20-2)14(9-13)16(18)21-10-11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3
InChIKeyKTMQHOBTAHKFAQ-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
(4-methoxycarbonylphenyl)methyl 2-bromo-5-methoxybenzoate
CID 2637273
(4-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 61321680
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870
(4-bromophenyl)methyl 4,5-dimethoxy-2-nitrobenzoate
CID 2629993
(4-methylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2438152
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,5-dimethoxybenzoate
CID 7487725
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7561181
(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
CID 116591846
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
benzyl 2-iodo-5-methoxybenzoate
CID 172646545

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2,5-dimethoxybenzoate?
The IUPAC name of (4-bromophenyl)methyl 2,5-dimethoxybenzoate (CID 43024000) is (4-bromophenyl)methyl 2,5-dimethoxybenzoate.
What is the SMILES notation for (4-bromophenyl)methyl 2,5-dimethoxybenzoate?
The canonical SMILES for (4-bromophenyl)methyl 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCc2ccc(Br)cc2)c1.
What is the InChIKey of (4-bromophenyl)methyl 2,5-dimethoxybenzoate?
The InChIKey is KTMQHOBTAHKFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-19-13-7-8-15(20-2)14(9-13)16(18)21-10-11-3-5-12(17)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of (4-bromophenyl)methyl 2,5-dimethoxybenzoate?
(4-bromophenyl)methyl 2,5-dimethoxybenzoate has a molecular weight of 351.20 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2,5-dimethoxybenzoate is sourced from PubChem (CID 43024000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).