2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde

C20H22O6 — CID 11850864

IUPAC2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
SMILESCOc1ccc(OCCCCOc2ccc(OC)cc2C=O)c(C=O)c1
InChIInChI=1S/C20H22O6/c1-23-17-5-7-19(15(11-17)13-21)25-9-3-4-10-26-20-8-6-18(24-2)12-16(20)14-22/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyRXKVZMPBSTZFCX-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.57
Rot. Bonds11

About 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde

2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde (PubChem CID 11850864) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
PubChem CID11850864
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
SMILESCOc1ccc(OCCCCOc2ccc(OC)cc2C=O)c(C=O)c1
InChIInChI=1S/C20H22O6/c1-23-17-5-7-19(15(11-17)13-21)25-9-3-4-10-26-20-8-6-18(24-2)12-16(20)14-22/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyRXKVZMPBSTZFCX-UHFFFAOYSA-N
XLogP3.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-undecoxybenzaldehyde
CID 15617492
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490800
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde
CID 59603127
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde?
The IUPAC name of 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde (CID 11850864) is 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde is COc1ccc(OCCCCOc2ccc(OC)cc2C=O)c(C=O)c1.
What is the InChIKey of 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde?
The InChIKey is RXKVZMPBSTZFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-23-17-5-7-19(15(11-17)13-21)25-9-3-4-10-26-20-8-6-18(24-2)12-16(20)14-22/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde?
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde has a molecular weight of 358.39 g/mol, XLogP of 3.57, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 11850864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).