4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol

C23H26O2 — CID 68959503

IUPAC4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol
SMILESCCCCCc1cc(C2=CCC(c3ccc(O)cc3)=CC2)ccc1O
InChIInChI=1S/C23H26O2/c1-2-3-4-5-21-16-20(12-15-23(21)25)19-8-6-17(7-9-19)18-10-13-22(24)14-11-18/h6,9-16,24-25H,2-5,7-8H2,1H3
InChIKeyFONLFIDITPBOGO-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.09
Rot. Bonds6

About 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol

4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol (PubChem CID 68959503) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol
PubChem CID68959503
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol
SMILESCCCCCc1cc(C2=CCC(c3ccc(O)cc3)=CC2)ccc1O
InChIInChI=1S/C23H26O2/c1-2-3-4-5-21-16-20(12-15-23(21)25)19-8-6-17(7-9-19)18-10-13-22(24)14-11-18/h6,9-16,24-25H,2-5,7-8H2,1H3
InChIKeyFONLFIDITPBOGO-UHFFFAOYSA-N
XLogP6.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]phenol
CID 68961421
2-tridecylbenzene-1,4-diol
CID 19033717
2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 68964944
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70369806
CID 70369806
4-tricosylbenzene-1,3-diol
CID 101133990
4-[3-fluoro-4-(3-heptyl-4-hydroxyphenyl)phenyl]-2-heptylphenol
CID 135247842
4-nonyl-2-pentylphenol
CID 86162849
4-bromo-2-hexylphenol
CID 22134514
4-bromo-2-dodecylphenol
CID 25207881
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol (CID 68959503) is 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol is CCCCCc1cc(C2=CCC(c3ccc(O)cc3)=CC2)ccc1O.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol?
The InChIKey is FONLFIDITPBOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-2-3-4-5-21-16-20(12-15-23(21)25)19-8-6-17(7-9-19)18-10-13-22(24)14-11-18/h6,9-16,24-25H,2-5,7-8H2,1H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol?
4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol has a molecular weight of 334.46 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)cyclohexa-1,4-dien-1-yl]-2-pentylphenol is sourced from PubChem (CID 68959503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).