1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene

C34H38O9 — CID 66849270

IUPAC1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COC(OCc2ccc(OC)cc2)OC(OCc2ccc(OC)cc2)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C34H38O9/c1-35-29-13-5-25(6-14-29)21-39-33(40-22-26-7-15-30(36-2)16-8-26)43-34(41-23-27-9-17-31(37-3)18-10-27)42-24-28-11-19-32(38-4)20-12-28/h5-20,33-34H,21-24H2,1-4H3
InChIKeyFRCDKVIXGNXGNX-UHFFFAOYSA-N
MW590.67 g/mol
LogP6.47
Rot. Bonds18

About 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene

1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene (PubChem CID 66849270) has the molecular formula C34H38O9 and a molecular weight of 590.67 g/mol. Its IUPAC name is 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
PubChem CID66849270
Molecular FormulaC34H38O9
Molecular Weight590.67 g/mol
Exact Mass590.25
IUPAC Name1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COC(OCc2ccc(OC)cc2)OC(OCc2ccc(OC)cc2)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C34H38O9/c1-35-29-13-5-25(6-14-29)21-39-33(40-22-26-7-15-30(36-2)16-8-26)43-34(41-23-27-9-17-31(37-3)18-10-27)42-24-28-11-19-32(38-4)20-12-28/h5-20,33-34H,21-24H2,1-4H3
InChIKeyFRCDKVIXGNXGNX-UHFFFAOYSA-N
XLogP6.47
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.67
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
CID 146253972
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
4-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)methoxy]methyl]-N,N-dimethylaniline
CID 154413110
1-[[(2S)-1-iodo-3-methylbutan-2-yl]oxymethyl]-4-methoxybenzene
CID 101441058
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(4-methoxyphenyl)methyl hypobromite
CID 166766888
[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene
CID 57002488
(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
CID 11425295
3-[(4-methoxyphenyl)methoxy]pentan-1-amine
CID 43428425

Frequently Asked Questions

What is the IUPAC name of 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene?
The IUPAC name of 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene (CID 66849270) is 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene?
The canonical SMILES for 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene is COc1ccc(COC(OCc2ccc(OC)cc2)OC(OCc2ccc(OC)cc2)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene?
The InChIKey is FRCDKVIXGNXGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O9/c1-35-29-13-5-25(6-14-29)21-39-33(40-22-26-7-15-30(36-2)16-8-26)43-34(41-23-27-9-17-31(37-3)18-10-27)42-24-28-11-19-32(38-4)20-12-28/h5-20,33-34H,21-24H2,1-4H3.
What are the key properties of 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene?
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene has a molecular weight of 590.67 g/mol, XLogP of 6.47, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene is sourced from PubChem (CID 66849270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).