2,6-bis(5-phenylpentoxy)phenol

C28H34O3 — CID 57224356

IUPAC2,6-bis(5-phenylpentoxy)phenol
SMILESOc1c(OCCCCCc2ccccc2)cccc1OCCCCCc1ccccc1
InChIInChI=1S/C28H34O3/c29-28-26(30-22-11-3-9-18-24-14-5-1-6-15-24)20-13-21-27(28)31-23-12-4-10-19-25-16-7-2-8-17-25/h1-2,5-8,13-17,20-21,29H,3-4,9-12,18-19,22-23H2
InChIKeyVRMCQDPPUFVYLA-UHFFFAOYSA-N
MW418.58 g/mol
LogP6.98
Rot. Bonds14

About 2,6-bis(5-phenylpentoxy)phenol

2,6-bis(5-phenylpentoxy)phenol (PubChem CID 57224356) has the molecular formula C28H34O3 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2,6-bis(5-phenylpentoxy)phenol.

Molecular Properties

Compound Name2,6-bis(5-phenylpentoxy)phenol
PubChem CID57224356
Molecular FormulaC28H34O3
Molecular Weight418.58 g/mol
Exact Mass418.25
IUPAC Name2,6-bis(5-phenylpentoxy)phenol
SMILESOc1c(OCCCCCc2ccccc2)cccc1OCCCCCc1ccccc1
InChIInChI=1S/C28H34O3/c29-28-26(30-22-11-3-9-18-24-14-5-1-6-15-24)20-13-21-27(28)31-23-12-4-10-19-25-16-7-2-8-17-25/h1-2,5-8,13-17,20-21,29H,3-4,9-12,18-19,22-23H2
InChIKeyVRMCQDPPUFVYLA-UHFFFAOYSA-N
XLogP6.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
3,4-bis(4-phenylbutoxy)phenol
CID 146326357
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
3-(6-phenylhexoxy)phenol
CID 54079626
8-(8-phenyloctoxy)octylbenzene
CID 56628536
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
7-methoxyheptylbenzene
CID 54276867
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
4-phenylbutylbenzene
CID 141301927
3-tetradecoxybenzene-1,2-diol
CID 152769078
8-phenyloctyl carbamate
CID 67180735

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-phenylpentoxy)phenol?
The IUPAC name of 2,6-bis(5-phenylpentoxy)phenol (CID 57224356) is 2,6-bis(5-phenylpentoxy)phenol.
What is the SMILES notation for 2,6-bis(5-phenylpentoxy)phenol?
The canonical SMILES for 2,6-bis(5-phenylpentoxy)phenol is Oc1c(OCCCCCc2ccccc2)cccc1OCCCCCc1ccccc1.
What is the InChIKey of 2,6-bis(5-phenylpentoxy)phenol?
The InChIKey is VRMCQDPPUFVYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O3/c29-28-26(30-22-11-3-9-18-24-14-5-1-6-15-24)20-13-21-27(28)31-23-12-4-10-19-25-16-7-2-8-17-25/h1-2,5-8,13-17,20-21,29H,3-4,9-12,18-19,22-23H2.
What are the key properties of 2,6-bis(5-phenylpentoxy)phenol?
2,6-bis(5-phenylpentoxy)phenol has a molecular weight of 418.58 g/mol, XLogP of 6.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-phenylpentoxy)phenol is sourced from PubChem (CID 57224356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).