3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol

C15H16O3 — CID 117242661

IUPAC3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
SMILESCc1ccccc1OCC(O)c1cccc(O)c1
InChIInChI=1S/C15H16O3/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9,14,16-17H,10H2,1H3
InChIKeyBUTDNSDUJFRIKV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.81
Rot. Bonds4

About 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol

3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol (PubChem CID 117242661) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol.

Molecular Properties

Compound Name3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
PubChem CID117242661
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
SMILESCc1ccccc1OCC(O)c1cccc(O)c1
InChIInChI=1S/C15H16O3/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9,14,16-17H,10H2,1H3
InChIKeyBUTDNSDUJFRIKV-UHFFFAOYSA-N
XLogP2.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-hydroxy-2-(4-methylphenoxy)ethyl]phenol
CID 117242770
2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
CID 104590716
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007
2-(2,3-dimethylphenoxy)-1-(3-nitrophenyl)ethanol
CID 109414023
2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134038
2-(2-methoxyphenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 117242621
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol?
The IUPAC name of 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol (CID 117242661) is 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol.
What is the SMILES notation for 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol?
The canonical SMILES for 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol is Cc1ccccc1OCC(O)c1cccc(O)c1.
What is the InChIKey of 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol?
The InChIKey is BUTDNSDUJFRIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11-5-2-3-8-15(11)18-10-14(17)12-6-4-7-13(16)9-12/h2-9,14,16-17H,10H2,1H3.
What are the key properties of 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol?
3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol has a molecular weight of 244.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol is sourced from PubChem (CID 117242661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).