(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate

C23H21BrO5 — CID 142526842

IUPAC(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
SMILESCOc1ccc(COC(=O)c2ccc(OCc3ccc(OC)cc3)c(Br)c2)cc1
InChIInChI=1S/C23H21BrO5/c1-26-19-8-3-16(4-9-19)14-28-22-12-7-18(13-21(22)24)23(25)29-15-17-5-10-20(27-2)11-6-17/h3-13H,14-15H2,1-2H3
InChIKeyKDWKGBDXFZXQNX-UHFFFAOYSA-N
MW457.32 g/mol
LogP5.40
Rot. Bonds8

About (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate

(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate (PubChem CID 142526842) has the molecular formula C23H21BrO5 and a molecular weight of 457.32 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
PubChem CID142526842
Molecular FormulaC23H21BrO5
Molecular Weight457.32 g/mol
Exact Mass456.06
IUPAC Name(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
SMILESCOc1ccc(COC(=O)c2ccc(OCc3ccc(OC)cc3)c(Br)c2)cc1
InChIInChI=1S/C23H21BrO5/c1-26-19-8-3-16(4-9-19)14-28-22-12-7-18(13-21(22)24)23(25)29-15-17-5-10-20(27-2)11-6-17/h3-13H,14-15H2,1-2H3
InChIKeyKDWKGBDXFZXQNX-UHFFFAOYSA-N
XLogP5.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.32
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
(4-methoxyphenyl)methyl 4-[(4-methoxyphenyl)methoxy]-3-methylsulfonylbenzoate
CID 142526940
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
(4-cyanophenyl)methyl 3-bromo-4-methoxybenzoate
CID 8875657
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
benzyl 3-bromo-4-(3-methylbutoxy)benzoate
CID 54793286
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
(4-bromophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126187152
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate?
The IUPAC name of (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate (CID 142526842) is (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate is COc1ccc(COC(=O)c2ccc(OCc3ccc(OC)cc3)c(Br)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate?
The InChIKey is KDWKGBDXFZXQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrO5/c1-26-19-8-3-16(4-9-19)14-28-22-12-7-18(13-21(22)24)23(25)29-15-17-5-10-20(27-2)11-6-17/h3-13H,14-15H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate?
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate has a molecular weight of 457.32 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 142526842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).