1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol

C9H12O4 — CID 10805

IUPAC1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
SMILESCOc1cc(C(O)CO)ccc1O
InChIInChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3
InChIKeyFBWPWWWZWKPJFL-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.43
Rot. Bonds3

About 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol

1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol (PubChem CID 10805) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
PubChem CID10805
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol
SMILESCOc1cc(C(O)CO)ccc1O
InChIInChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3
InChIKeyFBWPWWWZWKPJFL-UHFFFAOYSA-N
XLogP0.43
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol (CID 10805) is 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol is COc1cc(C(O)CO)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol?
The InChIKey is FBWPWWWZWKPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol?
1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol has a molecular weight of 184.19 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 10805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).