2,6-bis(2-methyloctan-2-yl)phenol

C24H42O — CID 87300429

IUPAC2,6-bis(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1cccc(C(C)(C)CCCCCC)c1O
InChIInChI=1S/C24H42O/c1-7-9-11-13-18-23(3,4)20-16-15-17-21(22(20)25)24(5,6)19-14-12-10-8-2/h15-17,25H,7-14,18-19H2,1-6H3
InChIKeyODLBSGRVQVGTNS-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.89
Rot. Bonds12

About 2,6-bis(2-methyloctan-2-yl)phenol

2,6-bis(2-methyloctan-2-yl)phenol (PubChem CID 87300429) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2,6-bis(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2,6-bis(2-methyloctan-2-yl)phenol
PubChem CID87300429
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2,6-bis(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1cccc(C(C)(C)CCCCCC)c1O
InChIInChI=1S/C24H42O/c1-7-9-11-13-18-23(3,4)20-16-15-17-21(22(20)25)24(5,6)19-14-12-10-8-2/h15-17,25H,7-14,18-19H2,1-6H3
InChIKeyODLBSGRVQVGTNS-UHFFFAOYSA-N
XLogP7.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
2,6-bis(7-aminotridecan-7-yl)phenol
CID 20545732
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
2-(2-methyltetradecan-2-yl)aniline
CID 46835335
1,2-dimethyl-3-(2-methylheptan-2-yl)benzene
CID 175950206
2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2,6-bis(5-propylnonan-5-yl)phenol
CID 174819612

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methyloctan-2-yl)phenol?
The IUPAC name of 2,6-bis(2-methyloctan-2-yl)phenol (CID 87300429) is 2,6-bis(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2,6-bis(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2,6-bis(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1cccc(C(C)(C)CCCCCC)c1O.
What is the InChIKey of 2,6-bis(2-methyloctan-2-yl)phenol?
The InChIKey is ODLBSGRVQVGTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-7-9-11-13-18-23(3,4)20-16-15-17-21(22(20)25)24(5,6)19-14-12-10-8-2/h15-17,25H,7-14,18-19H2,1-6H3.
What are the key properties of 2,6-bis(2-methyloctan-2-yl)phenol?
2,6-bis(2-methyloctan-2-yl)phenol has a molecular weight of 346.60 g/mol, XLogP of 7.89, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 87300429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).