1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene

C26H38O2 — CID 142632649

IUPAC1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene
SMILESCCCCCCCC(CCC)Cc1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H38O2/c1-4-6-7-8-9-11-22(10-5-2)20-23-12-18-26(19-13-23)28-21-24-14-16-25(27-3)17-15-24/h12-19,22H,4-11,20-21H2,1-3H3
InChIKeyAMPMNGWEFYPRPD-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.59
Rot. Bonds14

About 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene

1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene (PubChem CID 142632649) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene
PubChem CID142632649
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene
SMILESCCCCCCCC(CCC)Cc1ccc(OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H38O2/c1-4-6-7-8-9-11-22(10-5-2)20-23-12-18-26(19-13-23)28-21-24-14-16-25(27-3)17-15-24/h12-19,22H,4-11,20-21H2,1-3H3
InChIKeyAMPMNGWEFYPRPD-UHFFFAOYSA-N
XLogP7.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
3-[(4-methoxyphenyl)methyl]hexadecan-2-one
CID 70021103
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
4-(2-butyltetradecyl)phenol
CID 70630098
1-(2-decyltetradecyl)-4-[2-[4-(2-decyltetradecyl)phenyl]ethynyl]benzene
CID 71404252
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
4-(2-butylheptyl)phenol
CID 118370129

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene (CID 142632649) is 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene is CCCCCCCC(CCC)Cc1ccc(OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene?
The InChIKey is AMPMNGWEFYPRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-4-6-7-8-9-11-22(10-5-2)20-23-12-18-26(19-13-23)28-21-24-14-16-25(27-3)17-15-24/h12-19,22H,4-11,20-21H2,1-3H3.
What are the key properties of 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene?
1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene has a molecular weight of 382.59 g/mol, XLogP of 7.59, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene is sourced from PubChem (CID 142632649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).