4-methyl-2,6-bis(1-phenylethyl)phenol

C23H24O — CID 15751

IUPAC4-methyl-2,6-bis(1-phenylethyl)phenol
SMILESCc1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3
InChIKeyQFCGHEBLSUPGPF-UHFFFAOYSA-N
MW316.44 g/mol
LogP6.00
Rot. Bonds4

About 4-methyl-2,6-bis(1-phenylethyl)phenol

4-methyl-2,6-bis(1-phenylethyl)phenol (PubChem CID 15751) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-methyl-2,6-bis(1-phenylethyl)phenol.

Molecular Properties

Compound Name4-methyl-2,6-bis(1-phenylethyl)phenol
PubChem CID15751
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name4-methyl-2,6-bis(1-phenylethyl)phenol
SMILESCc1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3
InChIKeyQFCGHEBLSUPGPF-UHFFFAOYSA-N
XLogP6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(1-phenylethyl)phenol?
The IUPAC name of 4-methyl-2,6-bis(1-phenylethyl)phenol (CID 15751) is 4-methyl-2,6-bis(1-phenylethyl)phenol.
What is the SMILES notation for 4-methyl-2,6-bis(1-phenylethyl)phenol?
The canonical SMILES for 4-methyl-2,6-bis(1-phenylethyl)phenol is Cc1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1.
What is the InChIKey of 4-methyl-2,6-bis(1-phenylethyl)phenol?
The InChIKey is QFCGHEBLSUPGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3.
What are the key properties of 4-methyl-2,6-bis(1-phenylethyl)phenol?
4-methyl-2,6-bis(1-phenylethyl)phenol has a molecular weight of 316.44 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(1-phenylethyl)phenol is sourced from PubChem (CID 15751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).