3-(3,5-dimethoxyphenoxy)benzaldehyde

C15H14O4 — CID 63944242

IUPAC3-(3,5-dimethoxyphenoxy)benzaldehyde
SMILESCOc1cc(OC)cc(Oc2cccc(C=O)c2)c1
InChIInChI=1S/C15H14O4/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-4-11(6-12)10-16/h3-10H,1-2H3
InChIKeyTWOBMBYQNGAKIY-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.31
Rot. Bonds5

About 3-(3,5-dimethoxyphenoxy)benzaldehyde

3-(3,5-dimethoxyphenoxy)benzaldehyde (PubChem CID 63944242) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenoxy)benzaldehyde
PubChem CID63944242
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name3-(3,5-dimethoxyphenoxy)benzaldehyde
SMILESCOc1cc(OC)cc(Oc2cccc(C=O)c2)c1
InChIInChI=1S/C15H14O4/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-4-11(6-12)10-16/h3-10H,1-2H3
InChIKeyTWOBMBYQNGAKIY-UHFFFAOYSA-N
XLogP3.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
3-(4-bromophenoxy)benzaldehyde
CID 12874363
3-(trideuterio(113C)methoxy)benzaldehyde
CID 165416828
4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
CID 62122305
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
butanoic acid;3-methoxybenzaldehyde
CID 143463014
4-(3-formylphenoxy)benzonitrile
CID 13238540
(3-formylphenyl) formate
CID 58195323

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenoxy)benzaldehyde?
The IUPAC name of 3-(3,5-dimethoxyphenoxy)benzaldehyde (CID 63944242) is 3-(3,5-dimethoxyphenoxy)benzaldehyde.
What is the SMILES notation for 3-(3,5-dimethoxyphenoxy)benzaldehyde?
The canonical SMILES for 3-(3,5-dimethoxyphenoxy)benzaldehyde is COc1cc(OC)cc(Oc2cccc(C=O)c2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenoxy)benzaldehyde?
The InChIKey is TWOBMBYQNGAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-13-7-14(18-2)9-15(8-13)19-12-5-3-4-11(6-12)10-16/h3-10H,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenoxy)benzaldehyde?
3-(3,5-dimethoxyphenoxy)benzaldehyde has a molecular weight of 258.27 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenoxy)benzaldehyde is sourced from PubChem (CID 63944242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).