1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol

C10H14O3 — CID 117279181

IUPAC1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol
SMILESCC(O)c1ccc(C(O)CO)cc1
InChIInChI=1S/C10H14O3/c1-7(12)8-2-4-9(5-3-8)10(13)6-11/h2-5,7,10-13H,6H2,1H3
InChIKeyWFAIPYXKWSQZGY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.77
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol

1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol (PubChem CID 117279181) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol
PubChem CID117279181
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol
SMILESCC(O)c1ccc(C(O)CO)cc1
InChIInChI=1S/C10H14O3/c1-7(12)8-2-4-9(5-3-8)10(13)6-11/h2-5,7,10-13H,6H2,1H3
InChIKeyWFAIPYXKWSQZGY-UHFFFAOYSA-N
XLogP0.77
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
1-[4-(chloromethyl)phenyl]ethane-1,2-diol
CID 88977117
1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol
CID 121261456
1-(3-propan-2-ylphenyl)ethane-1,2-diol
CID 155397805
1-[4-(chloromethyl)phenyl]ethanol
CID 12600511
1-[4-(bromomethyl)phenyl]ethanol
CID 90882765
(1S)-1-[4-[2-(trimethyl-λ4-sulfanyl)ethynyl]phenyl]ethane-1,2-diol
CID 155153377
1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone
CID 117298432
(1S)-1-phenylethanol
CID 157125626

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol (CID 117279181) is 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol is CC(O)c1ccc(C(O)CO)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol?
The InChIKey is WFAIPYXKWSQZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(12)8-2-4-9(5-3-8)10(13)6-11/h2-5,7,10-13H,6H2,1H3.
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol?
1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 117279181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).