4-(2-hydroxyphenoxy)butane-1,2-diol

C10H14O4 — CID 23219139

IUPAC4-(2-hydroxyphenoxy)butane-1,2-diol
SMILESOCC(O)CCOc1ccccc1O
InChIInChI=1S/C10H14O4/c11-7-8(12)5-6-14-10-4-2-1-3-9(10)13/h1-4,8,11-13H,5-7H2
InChIKeyHPVDSRRVGQEFNE-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.51
Rot. Bonds5

About 4-(2-hydroxyphenoxy)butane-1,2-diol

4-(2-hydroxyphenoxy)butane-1,2-diol (PubChem CID 23219139) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(2-hydroxyphenoxy)butane-1,2-diol.

Molecular Properties

Compound Name4-(2-hydroxyphenoxy)butane-1,2-diol
PubChem CID23219139
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-(2-hydroxyphenoxy)butane-1,2-diol
SMILESOCC(O)CCOc1ccccc1O
InChIInChI=1S/C10H14O4/c11-7-8(12)5-6-14-10-4-2-1-3-9(10)13/h1-4,8,11-13H,5-7H2
InChIKeyHPVDSRRVGQEFNE-UHFFFAOYSA-N
XLogP0.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
CID 139058411
1-amino-4-(2-phenylphenoxy)butan-2-ol
CID 64812948
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
2-(2-hydroxybutoxy)phenol
CID 58593134
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
1-amino-4-(2-fluorophenoxy)butan-2-ol
CID 55268408
1,5-diphenoxypentan-3-ol
CID 5314309
2-(5-bromopentoxy)phenol
CID 13197601
2-tridecoxyphenol
CID 67178320
5-(3,4-dihydroxybutoxy)-4-hydroxy-3-prop-1-enylchromen-2-one
CID 174466484
2-[2-(3-methylbutoxy)phenyl]phenol
CID 58560440

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenoxy)butane-1,2-diol?
The IUPAC name of 4-(2-hydroxyphenoxy)butane-1,2-diol (CID 23219139) is 4-(2-hydroxyphenoxy)butane-1,2-diol.
What is the SMILES notation for 4-(2-hydroxyphenoxy)butane-1,2-diol?
The canonical SMILES for 4-(2-hydroxyphenoxy)butane-1,2-diol is OCC(O)CCOc1ccccc1O.
What is the InChIKey of 4-(2-hydroxyphenoxy)butane-1,2-diol?
The InChIKey is HPVDSRRVGQEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c11-7-8(12)5-6-14-10-4-2-1-3-9(10)13/h1-4,8,11-13H,5-7H2.
What are the key properties of 4-(2-hydroxyphenoxy)butane-1,2-diol?
4-(2-hydroxyphenoxy)butane-1,2-diol has a molecular weight of 198.22 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenoxy)butane-1,2-diol is sourced from PubChem (CID 23219139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).