2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol

C20H26O3 — CID 163459297

IUPAC2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol
SMILESCC(C)COCC(C)Oc1ccc(Cc2ccccc2)c(O)c1
InChIInChI=1S/C20H26O3/c1-15(2)13-22-14-16(3)23-19-10-9-18(20(21)12-19)11-17-7-5-4-6-8-17/h4-10,12,15-16,21H,11,13-14H2,1-3H3
InChIKeyBNFLOWRAXBOLSL-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.42
Rot. Bonds8

About 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol

2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol (PubChem CID 163459297) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol.

Molecular Properties

Compound Name2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol
PubChem CID163459297
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol
SMILESCC(C)COCC(C)Oc1ccc(Cc2ccccc2)c(O)c1
InChIInChI=1S/C20H26O3/c1-15(2)13-22-14-16(3)23-19-10-9-18(20(21)12-19)11-17-7-5-4-6-8-17/h4-10,12,15-16,21H,11,13-14H2,1-3H3
InChIKeyBNFLOWRAXBOLSL-UHFFFAOYSA-N
XLogP4.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-propan-2-yloxyphenyl)methyl]phenol
CID 22145956
benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane
CID 175551749
2-benzyl-5-octoxyphenol
CID 143162484
2-(4-benzylphenoxy)-N-methylpropan-1-amine
CID 62441040
[4-[4-(4-benzyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone
CID 58175145
2-benzylphenol;ethane
CID 91068983
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
2-benzyl-4,5-ditert-butylphenol
CID 21430785
4-(4-benzylphenoxy)-N-methylpentan-2-amine
CID 64720908
5-[(2S)-1-methoxypropan-2-yl]oxy-2-phenylmethoxybenzoic acid
CID 67487058

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol?
The IUPAC name of 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol (CID 163459297) is 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol.
What is the SMILES notation for 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol?
The canonical SMILES for 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol is CC(C)COCC(C)Oc1ccc(Cc2ccccc2)c(O)c1.
What is the InChIKey of 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol?
The InChIKey is BNFLOWRAXBOLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-15(2)13-22-14-16(3)23-19-10-9-18(20(21)12-19)11-17-7-5-4-6-8-17/h4-10,12,15-16,21H,11,13-14H2,1-3H3.
What are the key properties of 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol?
2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol has a molecular weight of 314.43 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[1-(2-methylpropoxy)propan-2-yloxy]phenol is sourced from PubChem (CID 163459297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).