4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol

C32H50O2 — CID 19003421

IUPAC4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
SMILESCc1cc(CCCCCCCCCCCCc2cc(C)c(O)c(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C32H50O2/c1-23(2)29-21-27(19-25(5)31(29)33)17-15-13-11-9-7-8-10-12-14-16-18-28-20-26(6)32(34)30(22-28)24(3)4/h19-24,33-34H,7-18H2,1-6H3
InChIKeyBMMLQLOIMAVIKE-UHFFFAOYSA-N
MW466.75 g/mol
LogP9.65
Rot. Bonds15

About 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol

4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol (PubChem CID 19003421) has the molecular formula C32H50O2 and a molecular weight of 466.75 g/mol. Its IUPAC name is 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
PubChem CID19003421
Molecular FormulaC32H50O2
Molecular Weight466.75 g/mol
Exact Mass466.38
IUPAC Name4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
SMILESCc1cc(CCCCCCCCCCCCc2cc(C)c(O)c(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C32H50O2/c1-23(2)29-21-27(19-25(5)31(29)33)17-15-13-11-9-7-8-10-12-14-16-18-28-20-26(6)32(34)30(22-28)24(3)4/h19-24,33-34H,7-18H2,1-6H3
InChIKeyBMMLQLOIMAVIKE-UHFFFAOYSA-N
XLogP9.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 59.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol?
The IUPAC name of 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol (CID 19003421) is 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol?
The canonical SMILES for 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol is Cc1cc(CCCCCCCCCCCCc2cc(C)c(O)c(C(C)C)c2)cc(C(C)C)c1O.
What is the InChIKey of 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol?
The InChIKey is BMMLQLOIMAVIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O2/c1-23(2)29-21-27(19-25(5)31(29)33)17-15-13-11-9-7-8-10-12-14-16-18-28-20-26(6)32(34)30(22-28)24(3)4/h19-24,33-34H,7-18H2,1-6H3.
What are the key properties of 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol?
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol has a molecular weight of 466.75 g/mol, XLogP of 9.65, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 19003421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).