2-(2-methoxyethyl)benzene-1,3-diol

C9H12O3 — CID 54168621

IUPAC2-(2-methoxyethyl)benzene-1,3-diol
SMILESCOCCc1c(O)cccc1O
InChIInChI=1S/C9H12O3/c1-12-6-5-7-8(10)3-2-4-9(7)11/h2-4,10-11H,5-6H2,1H3
InChIKeyOTKQYCMUOYLURQ-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.29
Rot. Bonds3

About 2-(2-methoxyethyl)benzene-1,3-diol

2-(2-methoxyethyl)benzene-1,3-diol (PubChem CID 54168621) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(2-methoxyethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(2-methoxyethyl)benzene-1,3-diol
PubChem CID54168621
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(2-methoxyethyl)benzene-1,3-diol
SMILESCOCCc1c(O)cccc1O
InChIInChI=1S/C9H12O3/c1-12-6-5-7-8(10)3-2-4-9(7)11/h2-4,10-11H,5-6H2,1H3
InChIKeyOTKQYCMUOYLURQ-UHFFFAOYSA-N
XLogP1.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)pyridin-3-ol
CID 119087382
4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol
CID 23147031
4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol
CID 23147068
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
2-pentylbenzene-1,3-diol
CID 15007741
2,3-bis(2-methoxyethyl)benzamide
CID 140931342
4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
CID 23147014
2-(2-methoxyethyl)thiophen-3-ol
CID 57007261
3-methoxy-2-propylphenol
CID 10607156
2-methoxyethylbenzene
CID 19089
4-(2-methoxyethyl)-2-methylphenol
CID 19977526
2-(2-methoxyethyl)-3-methylsulfonylbenzoic acid
CID 175937072

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)benzene-1,3-diol?
The IUPAC name of 2-(2-methoxyethyl)benzene-1,3-diol (CID 54168621) is 2-(2-methoxyethyl)benzene-1,3-diol.
What is the SMILES notation for 2-(2-methoxyethyl)benzene-1,3-diol?
The canonical SMILES for 2-(2-methoxyethyl)benzene-1,3-diol is COCCc1c(O)cccc1O.
What is the InChIKey of 2-(2-methoxyethyl)benzene-1,3-diol?
The InChIKey is OTKQYCMUOYLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-12-6-5-7-8(10)3-2-4-9(7)11/h2-4,10-11H,5-6H2,1H3.
What are the key properties of 2-(2-methoxyethyl)benzene-1,3-diol?
2-(2-methoxyethyl)benzene-1,3-diol has a molecular weight of 168.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)benzene-1,3-diol is sourced from PubChem (CID 54168621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).