4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol

C15H24O2 — CID 25177607

IUPAC4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
SMILESCC(C)CC(CC(C)C)c1ccc(O)cc1O
InChIInChI=1S/C15H24O2/c1-10(2)7-12(8-11(3)4)14-6-5-13(16)9-15(14)17/h5-6,9-12,16-17H,7-8H2,1-4H3
InChIKeyPCSLYRKPYQKOHU-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.27
Rot. Bonds5

About 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol

4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol (PubChem CID 25177607) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
PubChem CID25177607
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
SMILESCC(C)CC(CC(C)C)c1ccc(O)cc1O
InChIInChI=1S/C15H24O2/c1-10(2)7-12(8-11(3)4)14-6-5-13(16)9-15(14)17/h5-6,9-12,16-17H,7-8H2,1-4H3
InChIKeyPCSLYRKPYQKOHU-UHFFFAOYSA-N
XLogP4.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-amino-3-methylbutyl]benzene-1,3-diol
CID 131014556
4-[1-[(1-hydroxy-4-methylpentan-2-yl)amino]ethyl]benzene-1,3-diol
CID 61245954
4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
4-hexan-2-ylbenzene-1,3-diol
CID 66695243
4-[(1R)-1-amino-4-methylpentyl]benzene-1,3-diol
CID 171200136
2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
CID 130034047
4-(5,5-dimethylhexan-3-yl)benzene-1,3-diol
CID 123221463
4-[2-methyl-1-(2-methylpropylamino)propyl]benzene-1,3-diol
CID 177411598
6-(5-methylhexan-3-yl)naphthalen-2-ol
CID 123500206
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol
CID 150895447
4-[(1S)-3-methyl-1-piperazin-1-ylbutyl]benzene-1,3-diol;dihydrochloride
CID 171274045

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol?
The IUPAC name of 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol (CID 25177607) is 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol?
The canonical SMILES for 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol is CC(C)CC(CC(C)C)c1ccc(O)cc1O.
What is the InChIKey of 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol?
The InChIKey is PCSLYRKPYQKOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)7-12(8-11(3)4)14-6-5-13(16)9-15(14)17/h5-6,9-12,16-17H,7-8H2,1-4H3.
What are the key properties of 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol?
4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol has a molecular weight of 236.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol is sourced from PubChem (CID 25177607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).