[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol

C16H18O3 — CID 86767907

IUPAC[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
SMILESCc1ccccc1OCCOc1ccccc1CO
InChIInChI=1S/C16H18O3/c1-13-6-2-4-8-15(13)18-10-11-19-16-9-5-3-7-14(16)12-17/h2-9,17H,10-12H2,1H3
InChIKeyGWFMLLVKLNCDML-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.95
Rot. Bonds6

About [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol

[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol (PubChem CID 86767907) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
PubChem CID86767907
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
SMILESCc1ccccc1OCCOc1ccccc1CO
InChIInChI=1S/C16H18O3/c1-13-6-2-4-8-15(13)18-10-11-19-16-9-5-3-7-14(16)12-17/h2-9,17H,10-12H2,1H3
InChIKeyGWFMLLVKLNCDML-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
3-[2-[2-(2-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22683637
(2-octoxyphenyl)methanol
CID 43128604
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
CID 63654140
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
[2-[(3-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 107713381

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol?
The IUPAC name of [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol (CID 86767907) is [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol?
The canonical SMILES for [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol is Cc1ccccc1OCCOc1ccccc1CO.
What is the InChIKey of [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol?
The InChIKey is GWFMLLVKLNCDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-13-6-2-4-8-15(13)18-10-11-19-16-9-5-3-7-14(16)12-17/h2-9,17H,10-12H2,1H3.
What are the key properties of [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol?
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol has a molecular weight of 258.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol is sourced from PubChem (CID 86767907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).