2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol

C25H36O2 — CID 139602792

IUPAC2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol
SMILESCCCC(C)C(c1cc(C)cc(C)c1O)C(C)(C)c1cc(C)cc(C)c1O
InChIInChI=1S/C25H36O2/c1-9-10-17(4)22(20-13-15(2)11-18(5)23(20)26)25(7,8)21-14-16(3)12-19(6)24(21)27/h11-14,17,22,26-27H,9-10H2,1-8H3
InChIKeyXCJMMHYTLLSFPV-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.83
Rot. Bonds6

About 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol

2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol (PubChem CID 139602792) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol
PubChem CID139602792
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol
SMILESCCCC(C)C(c1cc(C)cc(C)c1O)C(C)(C)c1cc(C)cc(C)c1O
InChIInChI=1S/C25H36O2/c1-9-10-17(4)22(20-13-15(2)11-18(5)23(20)26)25(7,8)21-14-16(3)12-19(6)24(21)27/h11-14,17,22,26-27H,9-10H2,1-8H3
InChIKeyXCJMMHYTLLSFPV-UHFFFAOYSA-N
XLogP6.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol?
The IUPAC name of 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol (CID 139602792) is 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol?
The canonical SMILES for 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol is CCCC(C)C(c1cc(C)cc(C)c1O)C(C)(C)c1cc(C)cc(C)c1O.
What is the InChIKey of 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol?
The InChIKey is XCJMMHYTLLSFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-9-10-17(4)22(20-13-15(2)11-18(5)23(20)26)25(7,8)21-14-16(3)12-19(6)24(21)27/h11-14,17,22,26-27H,9-10H2,1-8H3.
What are the key properties of 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol?
2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol has a molecular weight of 368.56 g/mol, XLogP of 6.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol is sourced from PubChem (CID 139602792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).