2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol

C26H38O — CID 70848079

IUPAC2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol
SMILESCc1ccc(C(C)(C)c2ccc(O)c(CCC(C)C)c2)cc1CCC(C)C
InChIInChI=1S/C26H38O/c1-18(2)8-11-21-16-23(13-10-20(21)5)26(6,7)24-14-15-25(27)22(17-24)12-9-19(3)4/h10,13-19,27H,8-9,11-12H2,1-7H3
InChIKeyKKDWYHXCRBWBJT-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.20
Rot. Bonds8

About 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol

2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol (PubChem CID 70848079) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol
PubChem CID70848079
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol
SMILESCc1ccc(C(C)(C)c2ccc(O)c(CCC(C)C)c2)cc1CCC(C)C
InChIInChI=1S/C26H38O/c1-18(2)8-11-21-16-23(13-10-20(21)5)26(6,7)24-14-15-25(27)22(17-24)12-9-19(3)4/h10,13-19,27H,8-9,11-12H2,1-7H3
InChIKeyKKDWYHXCRBWBJT-UHFFFAOYSA-N
XLogP7.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol?
The IUPAC name of 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol (CID 70848079) is 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol?
The canonical SMILES for 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol is Cc1ccc(C(C)(C)c2ccc(O)c(CCC(C)C)c2)cc1CCC(C)C.
What is the InChIKey of 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol?
The InChIKey is KKDWYHXCRBWBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-18(2)8-11-21-16-23(13-10-20(21)5)26(6,7)24-14-15-25(27)22(17-24)12-9-19(3)4/h10,13-19,27H,8-9,11-12H2,1-7H3.
What are the key properties of 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol?
2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol has a molecular weight of 366.59 g/mol, XLogP of 7.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4-[2-[4-methyl-3-(3-methylbutyl)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 70848079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).