1-methyl-4-tetradecan-2-yloxybenzene

C21H36O — CID 54164810

IUPAC1-methyl-4-tetradecan-2-yloxybenzene
SMILESCCCCCCCCCCCCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C21H36O/c1-4-5-6-7-8-9-10-11-12-13-14-20(3)22-21-17-15-19(2)16-18-21/h15-18,20H,4-14H2,1-3H3
InChIKeyOQWXKHXKSWTRIJ-UHFFFAOYSA-N
MW304.52 g/mol
LogP7.07
Rot. Bonds13

About 1-methyl-4-tetradecan-2-yloxybenzene

1-methyl-4-tetradecan-2-yloxybenzene (PubChem CID 54164810) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-methyl-4-tetradecan-2-yloxybenzene.

Molecular Properties

Compound Name1-methyl-4-tetradecan-2-yloxybenzene
PubChem CID54164810
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name1-methyl-4-tetradecan-2-yloxybenzene
SMILESCCCCCCCCCCCCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C21H36O/c1-4-5-6-7-8-9-10-11-12-13-14-20(3)22-21-17-15-19(2)16-18-21/h15-18,20H,4-14H2,1-3H3
InChIKeyOQWXKHXKSWTRIJ-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 57.07
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-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
decan-2-yloxybenzene
CID 12838331
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
4-heptan-2-yloxybenzenethiol
CID 19843806
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
1-[4-(4-methylphenyl)phenoxy]decan-1-ol
CID 175704689
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504
(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene
CID 132821109
2-methyl-1-[4-[(2R)-octan-2-yl]oxyphenyl]-4-[4-(4-octylphenyl)phenyl]benzene
CID 132938317
5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine
CID 19991217
4-hexoxy-N-[2-(4-methylphenoxy)propyl]aniline
CID 54798872

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-tetradecan-2-yloxybenzene?
The IUPAC name of 1-methyl-4-tetradecan-2-yloxybenzene (CID 54164810) is 1-methyl-4-tetradecan-2-yloxybenzene.
What is the SMILES notation for 1-methyl-4-tetradecan-2-yloxybenzene?
The canonical SMILES for 1-methyl-4-tetradecan-2-yloxybenzene is CCCCCCCCCCCCC(C)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-tetradecan-2-yloxybenzene?
The InChIKey is OQWXKHXKSWTRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-4-5-6-7-8-9-10-11-12-13-14-20(3)22-21-17-15-19(2)16-18-21/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 1-methyl-4-tetradecan-2-yloxybenzene?
1-methyl-4-tetradecan-2-yloxybenzene has a molecular weight of 304.52 g/mol, XLogP of 7.07, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-tetradecan-2-yloxybenzene is sourced from PubChem (CID 54164810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).