4-methoxy-2-(3-methoxyphenoxy)benzaldehyde

C15H14O4 — CID 122403845

IUPAC4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
SMILESCOc1cccc(Oc2cc(OC)ccc2C=O)c1
InChIInChI=1S/C15H14O4/c1-17-12-4-3-5-14(8-12)19-15-9-13(18-2)7-6-11(15)10-16/h3-10H,1-2H3
InChIKeySPQSVBGBOHIOMS-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.31
Rot. Bonds5

About 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde

4-methoxy-2-(3-methoxyphenoxy)benzaldehyde (PubChem CID 122403845) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
PubChem CID122403845
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
SMILESCOc1cccc(Oc2cc(OC)ccc2C=O)c1
InChIInChI=1S/C15H14O4/c1-17-12-4-3-5-14(8-12)19-15-9-13(18-2)7-6-11(15)10-16/h3-10H,1-2H3
InChIKeySPQSVBGBOHIOMS-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

2,4-diphenoxybenzaldehyde
CID 87301631
5-bromo-2-(3-methoxyphenoxy)benzaldehyde
CID 114061306
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
CID 139643232
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
4-methoxy-2-(triaminomethoxy)benzaldehyde
CID 89196601
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
CID 114844906
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
2-bromo-4-(3-methoxyphenoxy)benzaldehyde;methane;4-(3-methoxyphenoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 157476819

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde?
The IUPAC name of 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde (CID 122403845) is 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde.
What is the SMILES notation for 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde?
The canonical SMILES for 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde is COc1cccc(Oc2cc(OC)ccc2C=O)c1.
What is the InChIKey of 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde?
The InChIKey is SPQSVBGBOHIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-17-12-4-3-5-14(8-12)19-15-9-13(18-2)7-6-11(15)10-16/h3-10H,1-2H3.
What are the key properties of 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde?
4-methoxy-2-(3-methoxyphenoxy)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 4-methoxy-2-(3-methoxyphenoxy)benzaldehyde is sourced from PubChem (CID 122403845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).