4-[(4-bromophenyl)methoxy]-3-methoxybenzoate

C15H12BrO4- — CID 8706948

IUPAC4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)[O-])ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H13BrO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)/p-1
InChIKeyGATMQUPWPCOCMJ-UHFFFAOYSA-M
MW336.16 g/mol
LogP2.40
Rot. Bonds5

About 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate

4-[(4-bromophenyl)methoxy]-3-methoxybenzoate (PubChem CID 8706948) has the molecular formula C15H12BrO4- and a molecular weight of 336.16 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
PubChem CID8706948
Molecular FormulaC15H12BrO4-
Molecular Weight336.16 g/mol
Exact Mass334.99
IUPAC Name4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)[O-])ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H13BrO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)/p-1
InChIKeyGATMQUPWPCOCMJ-UHFFFAOYSA-M
XLogP2.40
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
4-[(4-bromophenyl)methoxy]-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methoxybenzamide
CID 112832760
(4-bromophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126187152
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126325475
(E)-1-(4-bromophenyl)-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-en-1-one
CID 19541336
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
3-bromo-4-[(4-fluorophenyl)methoxy]benzoate
CID 8706894
4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78886268
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
(4-bromophenyl)methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 4031936

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate (CID 8706948) is 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate is COc1cc(C(=O)[O-])ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate?
The InChIKey is GATMQUPWPCOCMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13BrO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)/p-1.
What are the key properties of 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate?
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate has a molecular weight of 336.16 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 8706948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).