phenoxymethylbenzene;tetradecane

C27H42O — CID 175006528

IUPACphenoxymethylbenzene;tetradecane
SMILESCCCCCCCCCCCCCC.c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C14H30.C13H12O/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h3-14H2,1-2H3;1-10H,11H2
InChIKeyZOFMGZBOPSLTRP-UHFFFAOYSA-N
MW382.63 g/mol
LogP8.97
Rot. Bonds14

About phenoxymethylbenzene;tetradecane

phenoxymethylbenzene;tetradecane (PubChem CID 175006528) has the molecular formula C27H42O and a molecular weight of 382.63 g/mol. Its IUPAC name is phenoxymethylbenzene;tetradecane.

Molecular Properties

Compound Namephenoxymethylbenzene;tetradecane
PubChem CID175006528
Molecular FormulaC27H42O
Molecular Weight382.63 g/mol
Exact Mass382.32
IUPAC Namephenoxymethylbenzene;tetradecane
SMILESCCCCCCCCCCCCCC.c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C14H30.C13H12O/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h3-14H2,1-2H3;1-10H,11H2
InChIKeyZOFMGZBOPSLTRP-UHFFFAOYSA-N
XLogP8.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 58.97
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

butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
pentoxybenzene;undecane
CID 174778179
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
CID 139782099
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
1-(bromomethyl)-3-decoxy-5-phenylmethoxybenzene
CID 101207544
1-octadecyl-4-[2-(4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium
CID 67810130

Frequently Asked Questions

What is the IUPAC name of phenoxymethylbenzene;tetradecane?
The IUPAC name of phenoxymethylbenzene;tetradecane (CID 175006528) is phenoxymethylbenzene;tetradecane.
What is the SMILES notation for phenoxymethylbenzene;tetradecane?
The canonical SMILES for phenoxymethylbenzene;tetradecane is CCCCCCCCCCCCCC.c1ccc(COc2ccccc2)cc1.
What is the InChIKey of phenoxymethylbenzene;tetradecane?
The InChIKey is ZOFMGZBOPSLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C13H12O/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h3-14H2,1-2H3;1-10H,11H2.
What are the key properties of phenoxymethylbenzene;tetradecane?
phenoxymethylbenzene;tetradecane has a molecular weight of 382.63 g/mol, XLogP of 8.97, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxymethylbenzene;tetradecane is sourced from PubChem (CID 175006528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).