1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene

C22H30O3 — CID 101026265

IUPAC1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
SMILESCOc1ccc(COCCCCCCCOCc2ccccc2)cc1
InChIInChI=1S/C22H30O3/c1-23-22-14-12-21(13-15-22)19-25-17-9-4-2-3-8-16-24-18-20-10-6-5-7-11-20/h5-7,10-15H,2-4,8-9,16-19H2,1H3
InChIKeyACWNFFFQHAZFPA-UHFFFAOYSA-N
MW342.48 g/mol
LogP5.38
Rot. Bonds13

About 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene

1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene (PubChem CID 101026265) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
PubChem CID101026265
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
SMILESCOc1ccc(COCCCCCCCOCc2ccccc2)cc1
InChIInChI=1S/C22H30O3/c1-23-22-14-12-21(13-15-22)19-25-17-9-4-2-3-8-16-24-18-20-10-6-5-7-11-20/h5-7,10-15H,2-4,8-9,16-19H2,1H3
InChIKeyACWNFFFQHAZFPA-UHFFFAOYSA-N
XLogP5.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 11288168
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
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CID 11284058
N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
CID 14909645
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
4-[(4-methoxyphenyl)methoxy]butoxy thiohypoiodite
CID 170713872
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
azane;hexoxymethylbenzene
CID 174805489
1-methoxy-4-(undec-8-ynoxymethyl)benzene
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CID 162744243

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene?
The IUPAC name of 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene (CID 101026265) is 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene?
The canonical SMILES for 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene is COc1ccc(COCCCCCCCOCc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene?
The InChIKey is ACWNFFFQHAZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-23-22-14-12-21(13-15-22)19-25-17-9-4-2-3-8-16-24-18-20-10-6-5-7-11-20/h5-7,10-15H,2-4,8-9,16-19H2,1H3.
What are the key properties of 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene?
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene has a molecular weight of 342.48 g/mol, XLogP of 5.38, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene is sourced from PubChem (CID 101026265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).