2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol

C32H34O2 — CID 118264444

IUPAC2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol
SMILESCCc1cc(C(CC)c2ccccc2)cc(-c2cc(C(C)c3ccccc3)cc(C)c2O)c1O
InChIInChI=1S/C32H34O2/c1-5-23-18-27(28(6-2)25-15-11-8-12-16-25)20-30(32(23)34)29-19-26(17-21(3)31(29)33)22(4)24-13-9-7-10-14-24/h7-20,22,28,33-34H,5-6H2,1-4H3
InChIKeyUKDQDJONJZZSSB-UHFFFAOYSA-N
MW450.62 g/mol
LogP8.33
Rot. Bonds7

About 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol

2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol (PubChem CID 118264444) has the molecular formula C32H34O2 and a molecular weight of 450.62 g/mol. Its IUPAC name is 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol
PubChem CID118264444
Molecular FormulaC32H34O2
Molecular Weight450.62 g/mol
Exact Mass450.26
IUPAC Name2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol
SMILESCCc1cc(C(CC)c2ccccc2)cc(-c2cc(C(C)c3ccccc3)cc(C)c2O)c1O
InChIInChI=1S/C32H34O2/c1-5-23-18-27(28(6-2)25-15-11-8-12-16-25)20-30(32(23)34)29-19-26(17-21(3)31(29)33)22(4)24-13-9-7-10-14-24/h7-20,22,28,33-34H,5-6H2,1-4H3
InChIKeyUKDQDJONJZZSSB-UHFFFAOYSA-N
XLogP8.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
2-methyl-1-(2-methylphenyl)-4-(1-phenylpropyl)benzene
CID 144613218
oxalic acid;1-phenylpropylbenzene
CID 67824543
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol
CID 139825093
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
ethanamine;1-phenylethylbenzene
CID 19985218
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
ethane;2-fluorobutane;1-phenylethylbenzene
CID 142933891

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol?
The IUPAC name of 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol (CID 118264444) is 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol.
What is the SMILES notation for 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol?
The canonical SMILES for 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol is CCc1cc(C(CC)c2ccccc2)cc(-c2cc(C(C)c3ccccc3)cc(C)c2O)c1O.
What is the InChIKey of 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol?
The InChIKey is UKDQDJONJZZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O2/c1-5-23-18-27(28(6-2)25-15-11-8-12-16-25)20-30(32(23)34)29-19-26(17-21(3)31(29)33)22(4)24-13-9-7-10-14-24/h7-20,22,28,33-34H,5-6H2,1-4H3.
What are the key properties of 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol?
2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol has a molecular weight of 450.62 g/mol, XLogP of 8.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-hydroxy-5-(1-phenylpropyl)phenyl]-6-methyl-4-(1-phenylethyl)phenol is sourced from PubChem (CID 118264444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).