2-(9,9-diphenoxynonyl)phenol

C27H32O3 — CID 66866947

IUPAC2-(9,9-diphenoxynonyl)phenol
SMILESOc1ccccc1CCCCCCCCC(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C27H32O3/c28-26-21-14-13-16-23(26)15-7-3-1-2-4-12-22-27(29-24-17-8-5-9-18-24)30-25-19-10-6-11-20-25/h5-6,8-11,13-14,16-21,27-28H,1-4,7,12,15,22H2
InChIKeyTXZMDRPOYCWTDQ-UHFFFAOYSA-N
MW404.55 g/mol
LogP7.15
Rot. Bonds13

About 2-(9,9-diphenoxynonyl)phenol

2-(9,9-diphenoxynonyl)phenol (PubChem CID 66866947) has the molecular formula C27H32O3 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2-(9,9-diphenoxynonyl)phenol.

Molecular Properties

Compound Name2-(9,9-diphenoxynonyl)phenol
PubChem CID66866947
Molecular FormulaC27H32O3
Molecular Weight404.55 g/mol
Exact Mass404.24
IUPAC Name2-(9,9-diphenoxynonyl)phenol
SMILESOc1ccccc1CCCCCCCCC(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C27H32O3/c28-26-21-14-13-16-23(26)15-7-3-1-2-4-12-22-27(29-24-17-8-5-9-18-24)30-25-19-10-6-11-20-25/h5-6,8-11,13-14,16-21,27-28H,1-4,7,12,15,22H2
InChIKeyTXZMDRPOYCWTDQ-UHFFFAOYSA-N
XLogP7.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-diphenoxypropyl)phenol
CID 66865819
2-(8,8-diphenyloctyl)phenol
CID 66867292
2-(7,7-diphenylheptyl)phenol
CID 66866981
2-(7-phenoxyheptyl)phenol
CID 141346388
2-(12-phenyldodecyl)phenol
CID 70505621
ethoxyethane;2-octylphenol
CID 66605620
2-dodecylphenol
CID 160834917
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
bis(4,4-diphenoxybutyl) carbonate
CID 175004046
1-methoxydecoxybenzene
CID 24977925
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenoxynonyl)phenol?
The IUPAC name of 2-(9,9-diphenoxynonyl)phenol (CID 66866947) is 2-(9,9-diphenoxynonyl)phenol.
What is the SMILES notation for 2-(9,9-diphenoxynonyl)phenol?
The canonical SMILES for 2-(9,9-diphenoxynonyl)phenol is Oc1ccccc1CCCCCCCCC(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-(9,9-diphenoxynonyl)phenol?
The InChIKey is TXZMDRPOYCWTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3/c28-26-21-14-13-16-23(26)15-7-3-1-2-4-12-22-27(29-24-17-8-5-9-18-24)30-25-19-10-6-11-20-25/h5-6,8-11,13-14,16-21,27-28H,1-4,7,12,15,22H2.
What are the key properties of 2-(9,9-diphenoxynonyl)phenol?
2-(9,9-diphenoxynonyl)phenol has a molecular weight of 404.55 g/mol, XLogP of 7.15, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenoxynonyl)phenol is sourced from PubChem (CID 66866947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).