2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol

C26H38O — CID 141071762

IUPAC2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol
SMILESCc1cc(-c2c(C(C)C)cc(C(C)C)c(C)c2O)c(C(C)C)cc1C(C)C
InChIInChI=1S/C26H38O/c1-14(2)20-12-22(16(5)6)24(11-18(20)9)25-23(17(7)8)13-21(15(3)4)19(10)26(25)27/h11-17,27H,1-10H3
InChIKeyOJTWSHFWCKRKAE-UHFFFAOYSA-N
MW366.59 g/mol
LogP8.17
Rot. Bonds5

About 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol

2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol (PubChem CID 141071762) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol
PubChem CID141071762
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol
SMILESCc1cc(-c2c(C(C)C)cc(C(C)C)c(C)c2O)c(C(C)C)cc1C(C)C
InChIInChI=1S/C26H38O/c1-14(2)20-12-22(16(5)6)24(11-18(20)9)25-23(17(7)8)13-21(15(3)4)19(10)26(25)27/h11-17,27H,1-10H3
InChIKeyOJTWSHFWCKRKAE-UHFFFAOYSA-N
XLogP8.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol?
The IUPAC name of 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol (CID 141071762) is 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol.
What is the SMILES notation for 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol?
The canonical SMILES for 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol is Cc1cc(-c2c(C(C)C)cc(C(C)C)c(C)c2O)c(C(C)C)cc1C(C)C.
What is the InChIKey of 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol?
The InChIKey is OJTWSHFWCKRKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-14(2)20-12-22(16(5)6)24(11-18(20)9)25-23(17(7)8)13-21(15(3)4)19(10)26(25)27/h11-17,27H,1-10H3.
What are the key properties of 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol?
2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol has a molecular weight of 366.59 g/mol, XLogP of 8.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-methyl-2,4-di(propan-2-yl)phenyl]-3,5-di(propan-2-yl)phenol is sourced from PubChem (CID 141071762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).