4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol

C23H24O2 — CID 23019029

IUPAC4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
SMILESCCc1ccc(O)c(C(c2ccccc2)c2cc(CC)ccc2O)c1
InChIInChI=1S/C23H24O2/c1-3-16-10-12-21(24)19(14-16)23(18-8-6-5-7-9-18)20-15-17(4-2)11-13-22(20)25/h5-15,23-25H,3-4H2,1-2H3
InChIKeyMEEBIUPOFWUSHQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.40
Rot. Bonds5

About 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol

4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol (PubChem CID 23019029) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol.

Molecular Properties

Compound Name4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
PubChem CID23019029
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
SMILESCCc1ccc(O)c(C(c2ccccc2)c2cc(CC)ccc2O)c1
InChIInChI=1S/C23H24O2/c1-3-16-10-12-21(24)19(14-16)23(18-8-6-5-7-9-18)20-15-17(4-2)11-13-22(20)25/h5-15,23-25H,3-4H2,1-2H3
InChIKeyMEEBIUPOFWUSHQ-UHFFFAOYSA-N
XLogP5.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
CID 22677023
2-[(2,5-dihydroxyphenyl)-phenylmethyl]benzene-1,4-diol
CID 23019022
2-[(E)-3-[di(propan-2-yl)amino]-1-phenylprop-2-enyl]-4-ethylphenol
CID 143979868
2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
CID 23156082
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
2-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-6-[[2-hydroxy-3-[[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-5-(2-methylbutan-2-yl)phenyl]-phenylmethyl]-4-(2-methylbutan-2-yl)phenol
CID 23156052
2-(5-ethyl-2-hydroxyphenyl)butanenitrile
CID 130134665
4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 147502266
2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile
CID 130061052
4-ethyl-2-[2-(1-methylpiperidin-2-yl)-1-phenylethyl]phenol;hydron;bromide
CID 157458003
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
CID 43684152
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol?
The IUPAC name of 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol (CID 23019029) is 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol.
What is the SMILES notation for 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol?
The canonical SMILES for 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol is CCc1ccc(O)c(C(c2ccccc2)c2cc(CC)ccc2O)c1.
What is the InChIKey of 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol?
The InChIKey is MEEBIUPOFWUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-3-16-10-12-21(24)19(14-16)23(18-8-6-5-7-9-18)20-15-17(4-2)11-13-22(20)25/h5-15,23-25H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol?
4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol has a molecular weight of 332.44 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol is sourced from PubChem (CID 23019029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).