1-methoxy-2-tetradecylbenzene

C21H36O — CID 69169530

IUPAC1-methoxy-2-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccccc1OC
InChIInChI=1S/C21H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)22-2/h15-16,18-19H,3-14,17H2,1-2H3
InChIKeyQJHSKZZNYWUYDS-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.94
Rot. Bonds14

About 1-methoxy-2-tetradecylbenzene

1-methoxy-2-tetradecylbenzene (PubChem CID 69169530) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-methoxy-2-tetradecylbenzene.

Molecular Properties

Compound Name1-methoxy-2-tetradecylbenzene
PubChem CID69169530
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name1-methoxy-2-tetradecylbenzene
SMILESCCCCCCCCCCCCCCc1ccccc1OC
InChIInChI=1S/C21H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)22-2/h15-16,18-19H,3-14,17H2,1-2H3
InChIKeyQJHSKZZNYWUYDS-UHFFFAOYSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-heptyl-2-octadecoxybenzene
CID 139667653
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
(2-octylphenoxy)phosphane
CID 163637323
2-heptadecyl-6-methoxyphenol
CID 10713705
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-tetradecylbenzene?
The IUPAC name of 1-methoxy-2-tetradecylbenzene (CID 69169530) is 1-methoxy-2-tetradecylbenzene.
What is the SMILES notation for 1-methoxy-2-tetradecylbenzene?
The canonical SMILES for 1-methoxy-2-tetradecylbenzene is CCCCCCCCCCCCCCc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-tetradecylbenzene?
The InChIKey is QJHSKZZNYWUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)22-2/h15-16,18-19H,3-14,17H2,1-2H3.
What are the key properties of 1-methoxy-2-tetradecylbenzene?
1-methoxy-2-tetradecylbenzene has a molecular weight of 304.52 g/mol, XLogP of 6.94, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-tetradecylbenzene is sourced from PubChem (CID 69169530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).