phenoxybenzene;tetradecanoic acid

C26H38O3 — CID 175422794

IUPACphenoxybenzene;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H28O2.C12H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-13H2,1H3,(H,15,16);1-10H
InChIKeyAJRUJRGMCFAXBU-UHFFFAOYSA-N
MW398.59 g/mol
LogP8.25
Rot. Bonds14

About phenoxybenzene;tetradecanoic acid

phenoxybenzene;tetradecanoic acid (PubChem CID 175422794) has the molecular formula C26H38O3 and a molecular weight of 398.59 g/mol. Its IUPAC name is phenoxybenzene;tetradecanoic acid.

Molecular Properties

Compound Namephenoxybenzene;tetradecanoic acid
PubChem CID175422794
Molecular FormulaC26H38O3
Molecular Weight398.59 g/mol
Exact Mass398.28
IUPAC Namephenoxybenzene;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H28O2.C12H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-13H2,1H3,(H,15,16);1-10H
InChIKeyAJRUJRGMCFAXBU-UHFFFAOYSA-N
XLogP8.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
cobalt;octanoic acid;1,2-xylene
CID 175075701
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
phenyl tridecanoate
CID 54389784
calcium;hydride;octadecanoic acid;phenol
CID 173411979
phenyl dopentacontanoate
CID 139682818
bis(decanoic acid);triphenylbismuthane
CID 157172674
phenyl triacontanoate
CID 54018873
(813C)octadecanoic acid
CID 171379166

Frequently Asked Questions

What is the IUPAC name of phenoxybenzene;tetradecanoic acid?
The IUPAC name of phenoxybenzene;tetradecanoic acid (CID 175422794) is phenoxybenzene;tetradecanoic acid.
What is the SMILES notation for phenoxybenzene;tetradecanoic acid?
The canonical SMILES for phenoxybenzene;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of phenoxybenzene;tetradecanoic acid?
The InChIKey is AJRUJRGMCFAXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C12H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-13H2,1H3,(H,15,16);1-10H.
What are the key properties of phenoxybenzene;tetradecanoic acid?
phenoxybenzene;tetradecanoic acid has a molecular weight of 398.59 g/mol, XLogP of 8.25, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxybenzene;tetradecanoic acid is sourced from PubChem (CID 175422794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).