2-(2-benzyl-4-methylphenoxy)ethanol

C16H18O2 — CID 156845812

IUPAC2-(2-benzyl-4-methylphenoxy)ethanol
SMILESCc1ccc(OCCO)c(Cc2ccccc2)c1
InChIInChI=1S/C16H18O2/c1-13-7-8-16(18-10-9-17)15(11-13)12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3
InChIKeyNNDANDXPPCZBEB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-benzyl-4-methylphenoxy)ethanol

2-(2-benzyl-4-methylphenoxy)ethanol (PubChem CID 156845812) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-benzyl-4-methylphenoxy)ethanol.

Molecular Properties

Compound Name2-(2-benzyl-4-methylphenoxy)ethanol
PubChem CID156845812
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-(2-benzyl-4-methylphenoxy)ethanol
SMILESCc1ccc(OCCO)c(Cc2ccccc2)c1
InChIInChI=1S/C16H18O2/c1-13-7-8-16(18-10-9-17)15(11-13)12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3
InChIKeyNNDANDXPPCZBEB-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol
CID 7374885
2-(2-benzyl-4-methylphenoxy)propane-1,3-diol
CID 175325804
3-(2-benzyl-4-methylphenoxy)propyl-[(2S)-2-hydroxypropyl]azanium
CID 7375818
1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
CID 2993981
1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2996315
2-[4-[[4-(2-hydroxyethoxy)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]phenyl]methyl]phenoxy]ethanol
CID 164757819
2-benzyl-1-propoxy-4-propylbenzene
CID 170893890
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
2-[4-[[5-[[4-(2-hydroperoxyethoxy)phenyl]methyl]-2-(2-hydroxyethoxy)phenyl]methyl]phenoxy]ethanol
CID 176586407

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-methylphenoxy)ethanol?
The IUPAC name of 2-(2-benzyl-4-methylphenoxy)ethanol (CID 156845812) is 2-(2-benzyl-4-methylphenoxy)ethanol.
What is the SMILES notation for 2-(2-benzyl-4-methylphenoxy)ethanol?
The canonical SMILES for 2-(2-benzyl-4-methylphenoxy)ethanol is Cc1ccc(OCCO)c(Cc2ccccc2)c1.
What is the InChIKey of 2-(2-benzyl-4-methylphenoxy)ethanol?
The InChIKey is NNDANDXPPCZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-13-7-8-16(18-10-9-17)15(11-13)12-14-5-3-2-4-6-14/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 2-(2-benzyl-4-methylphenoxy)ethanol?
2-(2-benzyl-4-methylphenoxy)ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-methylphenoxy)ethanol is sourced from PubChem (CID 156845812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).