4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol

C17H28O2 — CID 22734658

IUPAC4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(CCCO)ccc1O
InChIInChI=1S/C17H28O2/c1-16(2,3)12-17(4,5)14-11-13(7-6-10-18)8-9-15(14)19/h8-9,11,18-19H,6-7,10,12H2,1-5H3
InChIKeyMWBZEVZYERPVKI-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.03
Rot. Bonds5

About 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol

4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 22734658) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID22734658
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(CCCO)ccc1O
InChIInChI=1S/C17H28O2/c1-16(2,3)12-17(4,5)14-11-13(7-6-10-18)8-9-15(14)19/h8-9,11,18-19H,6-7,10,12H2,1-5H3
InChIKeyMWBZEVZYERPVKI-UHFFFAOYSA-N
XLogP4.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263
2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734661
2-(2-methylbutan-2-yl)-4-nonylphenol
CID 139606496
2-tert-butyl-4-(3-methylsulfanylpropyl)phenol
CID 130368676
2-tert-butyl-4-pentylphenol
CID 19933254
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid;ethane-1,2-diol
CID 174372134
2-bromo-4-(3-hydroxypropyl)phenol
CID 101080758
4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117287926
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865
4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
CID 19087131
4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154203171
4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 156787448

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol (CID 22734658) is 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(CCCO)ccc1O.
What is the InChIKey of 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is MWBZEVZYERPVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-16(2,3)12-17(4,5)14-11-13(7-6-10-18)8-9-15(14)19/h8-9,11,18-19H,6-7,10,12H2,1-5H3.
What are the key properties of 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol?
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 264.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 22734658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).