[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate

C17H14O7 — CID 162660867

IUPAC[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate
SMILESCOc1cc(C=O)ccc1Oc1cc(C=O)cc(OC)c1OC=O
InChIInChI=1S/C17H14O7/c1-21-14-5-11(8-18)3-4-13(14)24-16-7-12(9-19)6-15(22-2)17(16)23-10-20/h3-10H,1-2H3
InChIKeyBSFBZUQRTNWPQM-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.66
Rot. Bonds8

About [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate

[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate (PubChem CID 162660867) has the molecular formula C17H14O7 and a molecular weight of 330.29 g/mol. Its IUPAC name is [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate.

Molecular Properties

Compound Name[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate
PubChem CID162660867
Molecular FormulaC17H14O7
Molecular Weight330.29 g/mol
Exact Mass330.07
IUPAC Name[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate
SMILESCOc1cc(C=O)ccc1Oc1cc(C=O)cc(OC)c1OC=O
InChIInChI=1S/C17H14O7/c1-21-14-5-11(8-18)3-4-13(14)24-16-7-12(9-19)6-15(22-2)17(16)23-10-20/h3-10H,1-2H3
InChIKeyBSFBZUQRTNWPQM-UHFFFAOYSA-N
XLogP2.66
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
3-methoxy-4-prop-1-enoxybenzaldehyde
CID 54295284
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
(5-formyl-2-methylperoxyphenyl) formate
CID 87488557
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
(5-formyl-2-methoxyphenoxy)boronic acid
CID 139979594
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790

Frequently Asked Questions

What is the IUPAC name of [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate?
The IUPAC name of [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate (CID 162660867) is [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate.
What is the SMILES notation for [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate?
The canonical SMILES for [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate is COc1cc(C=O)ccc1Oc1cc(C=O)cc(OC)c1OC=O.
What is the InChIKey of [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate?
The InChIKey is BSFBZUQRTNWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7/c1-21-14-5-11(8-18)3-4-13(14)24-16-7-12(9-19)6-15(22-2)17(16)23-10-20/h3-10H,1-2H3.
What are the key properties of [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate?
[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate has a molecular weight of 330.29 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate is sourced from PubChem (CID 162660867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).