1-methoxy-4-tetradecoxybenzene

C21H36O2 — CID 91712423

IUPAC1-methoxy-4-tetradecoxybenzene
SMILESCCCCCCCCCCCCCCOc1ccc(OC)cc1
InChIInChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-23-21-17-15-20(22-2)16-18-21/h15-18H,3-14,19H2,1-2H3
InChIKeyKSNGBYMTLJYSEF-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.78
Rot. Bonds15

About 1-methoxy-4-tetradecoxybenzene

1-methoxy-4-tetradecoxybenzene (PubChem CID 91712423) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-methoxy-4-tetradecoxybenzene.

Molecular Properties

Compound Name1-methoxy-4-tetradecoxybenzene
PubChem CID91712423
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name1-methoxy-4-tetradecoxybenzene
SMILESCCCCCCCCCCCCCCOc1ccc(OC)cc1
InChIInChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-23-21-17-15-20(22-2)16-18-21/h15-18H,3-14,19H2,1-2H3
InChIKeyKSNGBYMTLJYSEF-UHFFFAOYSA-N
XLogP6.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.78
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

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene
CID 58226263
1,4-dipentoxybenzene
CID 18314717
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
(NZ)-N-[(4-methoxyphenyl)-(4-octoxyphenyl)methylidene]hydroxylamine
CID 6087643
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
[4-(4-octoxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 101022439

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-tetradecoxybenzene?
The IUPAC name of 1-methoxy-4-tetradecoxybenzene (CID 91712423) is 1-methoxy-4-tetradecoxybenzene.
What is the SMILES notation for 1-methoxy-4-tetradecoxybenzene?
The canonical SMILES for 1-methoxy-4-tetradecoxybenzene is CCCCCCCCCCCCCCOc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-tetradecoxybenzene?
The InChIKey is KSNGBYMTLJYSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-23-21-17-15-20(22-2)16-18-21/h15-18H,3-14,19H2,1-2H3.
What are the key properties of 1-methoxy-4-tetradecoxybenzene?
1-methoxy-4-tetradecoxybenzene has a molecular weight of 320.52 g/mol, XLogP of 6.78, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-tetradecoxybenzene is sourced from PubChem (CID 91712423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).