2-(1,1-diphenoxynonyl)phenol

C27H32O3 — CID 66866946

IUPAC2-(1,1-diphenoxynonyl)phenol
SMILESCCCCCCCCC(Oc1ccccc1)(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C27H32O3/c1-2-3-4-5-6-15-22-27(25-20-13-14-21-26(25)28,29-23-16-9-7-10-17-23)30-24-18-11-8-12-19-24/h7-14,16-21,28H,2-6,15,22H2,1H3
InChIKeyYWSKVAZKNFNFSY-UHFFFAOYSA-N
MW404.55 g/mol
LogP7.45
Rot. Bonds12

About 2-(1,1-diphenoxynonyl)phenol

2-(1,1-diphenoxynonyl)phenol (PubChem CID 66866946) has the molecular formula C27H32O3 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2-(1,1-diphenoxynonyl)phenol.

Molecular Properties

Compound Name2-(1,1-diphenoxynonyl)phenol
PubChem CID66866946
Molecular FormulaC27H32O3
Molecular Weight404.55 g/mol
Exact Mass404.24
IUPAC Name2-(1,1-diphenoxynonyl)phenol
SMILESCCCCCCCCC(Oc1ccccc1)(Oc1ccccc1)c1ccccc1O
InChIInChI=1S/C27H32O3/c1-2-3-4-5-6-15-22-27(25-20-13-14-21-26(25)28,29-23-16-9-7-10-17-23)30-24-18-11-8-12-19-24/h7-14,16-21,28H,2-6,15,22H2,1H3
InChIKeyYWSKVAZKNFNFSY-UHFFFAOYSA-N
XLogP7.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 57.45
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-(1,1-diphenoxybutyl)phenol
CID 66866351
1,1-diphenoxydecoxybenzene
CID 150135541
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
2-(6-ethylundecan-6-yl)phenol
CID 87183650
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
2-pentyl-2-phenoxyheptanoic acid
CID 150989456
(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
CID 150202731
3-methyloct-1-yn-3-yloxybenzene
CID 10398427
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556
2-(1,1-diphenoxyethyl)phenol
CID 66866287

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diphenoxynonyl)phenol?
The IUPAC name of 2-(1,1-diphenoxynonyl)phenol (CID 66866946) is 2-(1,1-diphenoxynonyl)phenol.
What is the SMILES notation for 2-(1,1-diphenoxynonyl)phenol?
The canonical SMILES for 2-(1,1-diphenoxynonyl)phenol is CCCCCCCCC(Oc1ccccc1)(Oc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-(1,1-diphenoxynonyl)phenol?
The InChIKey is YWSKVAZKNFNFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O3/c1-2-3-4-5-6-15-22-27(25-20-13-14-21-26(25)28,29-23-16-9-7-10-17-23)30-24-18-11-8-12-19-24/h7-14,16-21,28H,2-6,15,22H2,1H3.
What are the key properties of 2-(1,1-diphenoxynonyl)phenol?
2-(1,1-diphenoxynonyl)phenol has a molecular weight of 404.55 g/mol, XLogP of 7.45, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diphenoxynonyl)phenol is sourced from PubChem (CID 66866946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).