(1R)-1-(4-hydroxyphenyl)butane-1,4-diol

C10H14O3 — CID 23836266

IUPAC(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
SMILESOCCC[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C10H14O3/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6,10-13H,1-2,7H2/t10-/m1/s1
InChIKeyBHXJOGXPNNNGAL-SNVBAGLBSA-N
MW182.22 g/mol
LogP1.20
Rot. Bonds4

About (1R)-1-(4-hydroxyphenyl)butane-1,4-diol

(1R)-1-(4-hydroxyphenyl)butane-1,4-diol (PubChem CID 23836266) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1R)-1-(4-hydroxyphenyl)butane-1,4-diol.

Molecular Properties

Compound Name(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
PubChem CID23836266
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
SMILESOCCC[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C10H14O3/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6,10-13H,1-2,7H2/t10-/m1/s1
InChIKeyBHXJOGXPNNNGAL-SNVBAGLBSA-N
XLogP1.20
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-hydroxyphenyl)butane-1,4-diol?
The IUPAC name of (1R)-1-(4-hydroxyphenyl)butane-1,4-diol (CID 23836266) is (1R)-1-(4-hydroxyphenyl)butane-1,4-diol.
What is the SMILES notation for (1R)-1-(4-hydroxyphenyl)butane-1,4-diol?
The canonical SMILES for (1R)-1-(4-hydroxyphenyl)butane-1,4-diol is OCCC[C@@H](O)c1ccc(O)cc1.
What is the InChIKey of (1R)-1-(4-hydroxyphenyl)butane-1,4-diol?
The InChIKey is BHXJOGXPNNNGAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O3/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6,10-13H,1-2,7H2/t10-/m1/s1.
What are the key properties of (1R)-1-(4-hydroxyphenyl)butane-1,4-diol?
(1R)-1-(4-hydroxyphenyl)butane-1,4-diol has a molecular weight of 182.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-hydroxyphenyl)butane-1,4-diol is sourced from PubChem (CID 23836266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).