2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol

C27H32O2 — CID 175071172

IUPAC2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2ccccc2)c1CCCCCCCCCc1ccccc1
InChIInChI=1S/C27H32O2/c28-25-20-21-26(29)27(23-17-11-7-12-18-23)24(25)19-13-5-3-1-2-4-8-14-22-15-9-6-10-16-22/h6-7,9-12,15-18,20-21,28-29H,1-5,8,13-14,19H2
InChIKeyCHYKMHNLYJAUKN-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.28
Rot. Bonds11

About 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol

2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol (PubChem CID 175071172) has the molecular formula C27H32O2 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol
PubChem CID175071172
Molecular FormulaC27H32O2
Molecular Weight388.55 g/mol
Exact Mass388.24
IUPAC Name2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2ccccc2)c1CCCCCCCCCc1ccccc1
InChIInChI=1S/C27H32O2/c28-25-20-21-26(29)27(23-17-11-7-12-18-23)24(25)19-13-5-3-1-2-4-8-14-22-15-9-6-10-16-22/h6-7,9-12,15-18,20-21,28-29H,1-5,8,13-14,19H2
InChIKeyCHYKMHNLYJAUKN-UHFFFAOYSA-N
XLogP7.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-3-(9-phenylnonyl)phenol
CID 175082705
2,4-diphenyl-3-(9-phenylnonyl)phenol;phosphoric acid
CID 175082704
2-phenyl-3-propylbenzene-1,4-diol
CID 118690325
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-ethyl-2-phenylphenol
CID 66867433
4-(10-phenyldecyl)benzene-1,2-diol
CID 14057488
2-(12-phenyldodecyl)phenol
CID 70505621
4-phenylbutylbenzene
CID 141301927
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
4-(4-phenylbutyl)benzene-1,2-diol
CID 15135539
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol?
The IUPAC name of 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol (CID 175071172) is 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol.
What is the SMILES notation for 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol?
The canonical SMILES for 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol is Oc1ccc(O)c(-c2ccccc2)c1CCCCCCCCCc1ccccc1.
What is the InChIKey of 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol?
The InChIKey is CHYKMHNLYJAUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O2/c28-25-20-21-26(29)27(23-17-11-7-12-18-23)24(25)19-13-5-3-1-2-4-8-14-22-15-9-6-10-16-22/h6-7,9-12,15-18,20-21,28-29H,1-5,8,13-14,19H2.
What are the key properties of 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol?
2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol has a molecular weight of 388.55 g/mol, XLogP of 7.28, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(9-phenylnonyl)benzene-1,4-diol is sourced from PubChem (CID 175071172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).