3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde

C14H10Br2O3 — CID 86660065

IUPAC3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde
SMILESCOc1ccc(Oc2c(Br)cc(C=O)cc2Br)cc1
InChIInChI=1S/C14H10Br2O3/c1-18-10-2-4-11(5-3-10)19-14-12(15)6-9(8-17)7-13(14)16/h2-8H,1H3
InChIKeyKPYWAKCFAXPNQN-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.82
Rot. Bonds4

About 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde

3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde (PubChem CID 86660065) has the molecular formula C14H10Br2O3 and a molecular weight of 386.04 g/mol. Its IUPAC name is 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde
PubChem CID86660065
Molecular FormulaC14H10Br2O3
Molecular Weight386.04 g/mol
Exact Mass383.90
IUPAC Name3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde
SMILESCOc1ccc(Oc2c(Br)cc(C=O)cc2Br)cc1
InChIInChI=1S/C14H10Br2O3/c1-18-10-2-4-11(5-3-10)19-14-12(15)6-9(8-17)7-13(14)16/h2-8H,1H3
InChIKeyKPYWAKCFAXPNQN-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
3-bromo-4-methoxy-5-sulfanylbenzaldehyde
CID 59243969
3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde
CID 114062202
3-bromo-4,5-dimethoxybenzaldehyde;3-bromo-4-hydroxy-5-methoxybenzaldehyde;1-bromo-2,3,5-trimethoxybenzene
CID 158403015
3-(aminomethyl)-5-bromo-4-methoxybenzaldehyde
CID 91902685
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
CID 55146396
3,5-dibromo-4-butoxybenzaldehyde
CID 103601560
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
4-(4-bromo-3-chlorophenoxy)benzaldehyde
CID 142325397
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779
4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
CID 79884305

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde?
The IUPAC name of 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde (CID 86660065) is 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde is COc1ccc(Oc2c(Br)cc(C=O)cc2Br)cc1.
What is the InChIKey of 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde?
The InChIKey is KPYWAKCFAXPNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O3/c1-18-10-2-4-11(5-3-10)19-14-12(15)6-9(8-17)7-13(14)16/h2-8H,1H3.
What are the key properties of 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde?
3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde has a molecular weight of 386.04 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde is sourced from PubChem (CID 86660065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).