2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde

C18H19BrO5 — CID 141140359

IUPAC2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde
SMILESCCOc1ccc(COc2c(OC)cc(C=O)c(Br)c2OC)cc1
InChIInChI=1S/C18H19BrO5/c1-4-23-14-7-5-12(6-8-14)11-24-17-15(21-2)9-13(10-20)16(19)18(17)22-3/h5-10H,4,11H2,1-3H3
InChIKeyMIWYBKXFFHCZFC-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.26
Rot. Bonds8

About 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde

2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde (PubChem CID 141140359) has the molecular formula C18H19BrO5 and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde
PubChem CID141140359
Molecular FormulaC18H19BrO5
Molecular Weight395.25 g/mol
Exact Mass394.04
IUPAC Name2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde
SMILESCCOc1ccc(COc2c(OC)cc(C=O)c(Br)c2OC)cc1
InChIInChI=1S/C18H19BrO5/c1-4-23-14-7-5-12(6-8-14)11-24-17-15(21-2)9-13(10-20)16(19)18(17)22-3/h5-10H,4,11H2,1-3H3
InChIKeyMIWYBKXFFHCZFC-UHFFFAOYSA-N
XLogP4.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxyphenyl]prop-2-enoate
CID 141140358
3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid
CID 141140361
2,3-dibromo-4-ethoxy-5-methoxybenzaldehyde
CID 19578166
2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxybenzaldehyde
CID 21211263
2-bromo-3,4,5-trimethoxybenzaldehyde;1,1-dimethoxyethane
CID 88526505
(3-bromo-4-formyl-2,6-dimethoxyphenyl) acetate
CID 22633147
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528
5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-ethoxyaniline
CID 126119393

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde?
The IUPAC name of 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde (CID 141140359) is 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde is CCOc1ccc(COc2c(OC)cc(C=O)c(Br)c2OC)cc1.
What is the InChIKey of 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde?
The InChIKey is MIWYBKXFFHCZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO5/c1-4-23-14-7-5-12(6-8-14)11-24-17-15(21-2)9-13(10-20)16(19)18(17)22-3/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde?
2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde has a molecular weight of 395.25 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 141140359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).