2,6-bis(5-propylnonan-5-yl)phenol

C30H54O — CID 174819612

IUPAC2,6-bis(5-propylnonan-5-yl)phenol
SMILESCCCCC(CCC)(CCCC)c1cccc(C(CCC)(CCCC)CCCC)c1O
InChIInChI=1S/C30H54O/c1-7-13-22-29(20-11-5,23-14-8-2)26-18-17-19-27(28(26)31)30(21-12-6,24-15-9-3)25-16-10-4/h17-19,31H,7-16,20-25H2,1-6H3
InChIKeyZIVBCXKLIKKWNE-UHFFFAOYSA-N
MW430.76 g/mol
LogP10.23
Rot. Bonds18

About 2,6-bis(5-propylnonan-5-yl)phenol

2,6-bis(5-propylnonan-5-yl)phenol (PubChem CID 174819612) has the molecular formula C30H54O and a molecular weight of 430.76 g/mol. Its IUPAC name is 2,6-bis(5-propylnonan-5-yl)phenol.

Molecular Properties

Compound Name2,6-bis(5-propylnonan-5-yl)phenol
PubChem CID174819612
Molecular FormulaC30H54O
Molecular Weight430.76 g/mol
Exact Mass430.42
IUPAC Name2,6-bis(5-propylnonan-5-yl)phenol
SMILESCCCCC(CCC)(CCCC)c1cccc(C(CCC)(CCCC)CCCC)c1O
InChIInChI=1S/C30H54O/c1-7-13-22-29(20-11-5,23-14-8-2)26-18-17-19-27(28(26)31)30(21-12-6,24-15-9-3)25-16-10-4/h17-19,31H,7-16,20-25H2,1-6H3
InChIKeyZIVBCXKLIKKWNE-UHFFFAOYSA-N
XLogP10.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-bis(5-propylnonan-5-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
1-methyl-2-(4-propylnonan-4-yl)benzene
CID 173020959
2,6-bis(7-aminotridecan-7-yl)phenol
CID 20545732
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
2-(6-ethylundecan-6-yl)phenol
CID 87183650
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
2-[2-(4-carboxyoctan-4-yl)phenyl]-2-propylhexanoic acid
CID 158765235
2-(5-butylnonan-5-yl)benzene-1,3-diamine
CID 150755453
1-(4-naphthalen-1-yloctan-4-yl)naphthalene
CID 174772788

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-propylnonan-5-yl)phenol?
The IUPAC name of 2,6-bis(5-propylnonan-5-yl)phenol (CID 174819612) is 2,6-bis(5-propylnonan-5-yl)phenol.
What is the SMILES notation for 2,6-bis(5-propylnonan-5-yl)phenol?
The canonical SMILES for 2,6-bis(5-propylnonan-5-yl)phenol is CCCCC(CCC)(CCCC)c1cccc(C(CCC)(CCCC)CCCC)c1O.
What is the InChIKey of 2,6-bis(5-propylnonan-5-yl)phenol?
The InChIKey is ZIVBCXKLIKKWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O/c1-7-13-22-29(20-11-5,23-14-8-2)26-18-17-19-27(28(26)31)30(21-12-6,24-15-9-3)25-16-10-4/h17-19,31H,7-16,20-25H2,1-6H3.
What are the key properties of 2,6-bis(5-propylnonan-5-yl)phenol?
2,6-bis(5-propylnonan-5-yl)phenol has a molecular weight of 430.76 g/mol, XLogP of 10.23, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-propylnonan-5-yl)phenol is sourced from PubChem (CID 174819612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).