2,4-dimethoxy-1-tetradecylbenzene

C22H38O2 — CID 54383579

IUPAC2,4-dimethoxy-1-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccc(OC)cc1OC
InChIInChI=1S/C22H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(23-2)19-22(20)24-3/h17-19H,4-16H2,1-3H3
InChIKeyMWXBMVKJYDIKJL-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.95
Rot. Bonds15

About 2,4-dimethoxy-1-tetradecylbenzene

2,4-dimethoxy-1-tetradecylbenzene (PubChem CID 54383579) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 2,4-dimethoxy-1-tetradecylbenzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-tetradecylbenzene
PubChem CID54383579
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name2,4-dimethoxy-1-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccc(OC)cc1OC
InChIInChI=1S/C22H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(23-2)19-22(20)24-3/h17-19H,4-16H2,1-3H3
InChIKeyMWXBMVKJYDIKJL-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.95
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-decyl-2,4-dimethoxybenzene
CID 524862
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
1,2-dibutyl-4-methoxybenzene
CID 153315966
1-methoxy-2-tetradecylbenzene
CID 69169530
5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene
CID 134999835
1-hexyl-2,4-bis[(2-methylpropan-2-yl)oxy]benzene
CID 154145604
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2,4-dimethoxy-6-pentylphenol
CID 13197794
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-tetradecylbenzene?
The IUPAC name of 2,4-dimethoxy-1-tetradecylbenzene (CID 54383579) is 2,4-dimethoxy-1-tetradecylbenzene.
What is the SMILES notation for 2,4-dimethoxy-1-tetradecylbenzene?
The canonical SMILES for 2,4-dimethoxy-1-tetradecylbenzene is CCCCCCCCCCCCCCc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-1-tetradecylbenzene?
The InChIKey is MWXBMVKJYDIKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(23-2)19-22(20)24-3/h17-19H,4-16H2,1-3H3.
What are the key properties of 2,4-dimethoxy-1-tetradecylbenzene?
2,4-dimethoxy-1-tetradecylbenzene has a molecular weight of 334.54 g/mol, XLogP of 6.95, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-tetradecylbenzene is sourced from PubChem (CID 54383579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).