4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol

C20H26O3 — CID 146177386

IUPAC4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(OCC(C)O)c(C)c2)ccc1O
InChIInChI=1S/C20H26O3/c1-13-10-16(6-8-18(13)22)20(4,5)17-7-9-19(14(2)11-17)23-12-15(3)21/h6-11,15,21-22H,12H2,1-5H3
InChIKeyIIAADRNVBGLBLQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.09
Rot. Bonds5

About 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol

4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol (PubChem CID 146177386) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol
PubChem CID146177386
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(OCC(C)O)c(C)c2)ccc1O
InChIInChI=1S/C20H26O3/c1-13-10-16(6-8-18(13)22)20(4,5)17-7-9-19(14(2)11-17)23-12-15(3)21/h6-11,15,21-22H,12H2,1-5H3
InChIKeyIIAADRNVBGLBLQ-UHFFFAOYSA-N
XLogP4.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 134424160
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol;2-[[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]propane-1,3-diol
CID 159694859
(2S)-3-[4-[2-[4-[(2R)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]-2-methylphenoxy]propane-1,2-diol
CID 118052736
(2S)-3-[4-[2-[4-[(2R)-3-chloro-2-hydroxypropoxy]-3-methylphenyl]propan-2-yl]phenoxy]propane-1,2-diol
CID 118052693
(2S)-3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]-2-methylphenoxy]propane-1,2-diol;sulfane
CID 158118472
2-[4-[2-[4-(carboxylatomethoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]acetate
CID 4228987

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol?
The IUPAC name of 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol (CID 146177386) is 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2ccc(OCC(C)O)c(C)c2)ccc1O.
What is the InChIKey of 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol?
The InChIKey is IIAADRNVBGLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-13-10-16(6-8-18(13)22)20(4,5)17-7-9-19(14(2)11-17)23-12-15(3)21/h6-11,15,21-22H,12H2,1-5H3.
What are the key properties of 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol?
4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol has a molecular weight of 314.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol is sourced from PubChem (CID 146177386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).