1-pentadecyl-2-phenoxybenzene

C27H40O — CID 101290758

IUPAC1-pentadecyl-2-phenoxybenzene
SMILESCCCCCCCCCCCCCCCc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-25-21-18-19-24-27(25)28-26-22-16-14-17-23-26/h14,16-19,21-24H,2-13,15,20H2,1H3
InChIKeyBMJNODWPLKSHHF-UHFFFAOYSA-N
MW380.62 g/mol
LogP9.11
Rot. Bonds16

About 1-pentadecyl-2-phenoxybenzene

1-pentadecyl-2-phenoxybenzene (PubChem CID 101290758) has the molecular formula C27H40O and a molecular weight of 380.62 g/mol. Its IUPAC name is 1-pentadecyl-2-phenoxybenzene.

Molecular Properties

Compound Name1-pentadecyl-2-phenoxybenzene
PubChem CID101290758
Molecular FormulaC27H40O
Molecular Weight380.62 g/mol
Exact Mass380.31
IUPAC Name1-pentadecyl-2-phenoxybenzene
SMILESCCCCCCCCCCCCCCCc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-25-21-18-19-24-27(25)28-26-22-16-14-17-23-26/h14,16-19,21-24H,2-13,15,20H2,1H3
InChIKeyBMJNODWPLKSHHF-UHFFFAOYSA-N
XLogP9.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 59.11
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-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205
disodium;1-dodecyl-2-phenoxybenzene;sulfonato sulfate
CID 159843124
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
1,4-dihexadecyl-2-phenoxybenzene
CID 101292199
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
bis(2-decylphenyl) phenyl phosphite
CID 67947899
4-pentyl-3-phenoxypyridine
CID 173046751
1-methoxy-2-tetradecylbenzene
CID 69169530

Frequently Asked Questions

What is the IUPAC name of 1-pentadecyl-2-phenoxybenzene?
The IUPAC name of 1-pentadecyl-2-phenoxybenzene (CID 101290758) is 1-pentadecyl-2-phenoxybenzene.
What is the SMILES notation for 1-pentadecyl-2-phenoxybenzene?
The canonical SMILES for 1-pentadecyl-2-phenoxybenzene is CCCCCCCCCCCCCCCc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-pentadecyl-2-phenoxybenzene?
The InChIKey is BMJNODWPLKSHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-25-21-18-19-24-27(25)28-26-22-16-14-17-23-26/h14,16-19,21-24H,2-13,15,20H2,1H3.
What are the key properties of 1-pentadecyl-2-phenoxybenzene?
1-pentadecyl-2-phenoxybenzene has a molecular weight of 380.62 g/mol, XLogP of 9.11, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-2-phenoxybenzene is sourced from PubChem (CID 101290758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).