2,3,4-tris[1-(2-methylphenyl)ethyl]phenol

C33H36O — CID 3019354

IUPAC2,3,4-tris[1-(2-methylphenyl)ethyl]phenol
SMILESCc1ccccc1C(C)c1ccc(O)c(C(C)c2ccccc2C)c1C(C)c1ccccc1C
InChIInChI=1S/C33H36O/c1-21-13-7-10-16-27(21)24(4)30-19-20-31(34)33(26(6)29-18-12-9-15-23(29)3)32(30)25(5)28-17-11-8-14-22(28)2/h7-20,24-26,34H,1-6H3
InChIKeyUWDAPGQTJHDQRR-UHFFFAOYSA-N
MW448.65 g/mol
LogP8.77
Rot. Bonds6

About 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol

2,3,4-tris[1-(2-methylphenyl)ethyl]phenol (PubChem CID 3019354) has the molecular formula C33H36O and a molecular weight of 448.65 g/mol. Its IUPAC name is 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,3,4-tris[1-(2-methylphenyl)ethyl]phenol
PubChem CID3019354
Molecular FormulaC33H36O
Molecular Weight448.65 g/mol
Exact Mass448.28
IUPAC Name2,3,4-tris[1-(2-methylphenyl)ethyl]phenol
SMILESCc1ccccc1C(C)c1ccc(O)c(C(C)c2ccccc2C)c1C(C)c1ccccc1C
InChIInChI=1S/C33H36O/c1-21-13-7-10-16-27(21)24(4)30-19-20-31(34)33(26(6)29-18-12-9-15-23(29)3)32(30)25(5)28-17-11-8-14-22(28)2/h7-20,24-26,34H,1-6H3
InChIKeyUWDAPGQTJHDQRR-UHFFFAOYSA-N
XLogP8.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol?
The IUPAC name of 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol (CID 3019354) is 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol.
What is the SMILES notation for 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol?
The canonical SMILES for 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol is Cc1ccccc1C(C)c1ccc(O)c(C(C)c2ccccc2C)c1C(C)c1ccccc1C.
What is the InChIKey of 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol?
The InChIKey is UWDAPGQTJHDQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O/c1-21-13-7-10-16-27(21)24(4)30-19-20-31(34)33(26(6)29-18-12-9-15-23(29)3)32(30)25(5)28-17-11-8-14-22(28)2/h7-20,24-26,34H,1-6H3.
What are the key properties of 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol?
2,3,4-tris[1-(2-methylphenyl)ethyl]phenol has a molecular weight of 448.65 g/mol, XLogP of 8.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris[1-(2-methylphenyl)ethyl]phenol is sourced from PubChem (CID 3019354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).