3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde

C35H30O5 — CID 11156824

IUPAC3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2cccc(OCc3cccc(OCc4cccc(OCc5ccccc5)c4)c3)c2)c1
InChIInChI=1S/C35H30O5/c36-22-28-10-4-14-32(18-28)38-24-30-12-6-16-34(20-30)40-26-31-13-7-17-35(21-31)39-25-29-11-5-15-33(19-29)37-23-27-8-2-1-3-9-27/h1-22H,23-26H2
InChIKeyZKKDZFFTYRFKNM-UHFFFAOYSA-N
MW530.62 g/mol
LogP7.82
Rot. Bonds13

About 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde

3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde (PubChem CID 11156824) has the molecular formula C35H30O5 and a molecular weight of 530.62 g/mol. Its IUPAC name is 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
PubChem CID11156824
Molecular FormulaC35H30O5
Molecular Weight530.62 g/mol
Exact Mass530.21
IUPAC Name3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2cccc(OCc3cccc(OCc4cccc(OCc5ccccc5)c4)c3)c2)c1
InChIInChI=1S/C35H30O5/c36-22-28-10-4-14-32(18-28)38-24-30-12-6-16-34(20-30)40-26-31-13-7-17-35(21-31)39-25-29-11-5-15-33(19-29)37-23-27-8-2-1-3-9-27/h1-22H,23-26H2
InChIKeyZKKDZFFTYRFKNM-UHFFFAOYSA-N
XLogP7.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
3-(5-phenylmethoxypentoxy)benzaldehyde
CID 86637621
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde
CID 83853943
3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
CID 134357887
3-[(3-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 30024854
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 139661611
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde?
The IUPAC name of 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde (CID 11156824) is 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde?
The canonical SMILES for 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde is O=Cc1cccc(OCc2cccc(OCc3cccc(OCc4cccc(OCc5ccccc5)c4)c3)c2)c1.
What is the InChIKey of 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde?
The InChIKey is ZKKDZFFTYRFKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O5/c36-22-28-10-4-14-32(18-28)38-24-30-12-6-16-34(20-30)40-26-31-13-7-17-35(21-31)39-25-29-11-5-15-33(19-29)37-23-27-8-2-1-3-9-27/h1-22H,23-26H2.
What are the key properties of 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde?
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde has a molecular weight of 530.62 g/mol, XLogP of 7.82, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 11156824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).