(1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol

C12H18O4 — CID 23779044

IUPAC(1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol
SMILESOCCC[C@@H](O)c1ccccc1OCCO
InChIInChI=1S/C12H18O4/c13-7-3-5-11(15)10-4-1-2-6-12(10)16-9-8-14/h1-2,4,6,11,13-15H,3,5,7-9H2/t11-/m1/s1
InChIKeyZWRHIHGBQANSKF-LLVKDONJSA-N
MW226.27 g/mol
LogP0.86
Rot. Bonds7

About (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol

(1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol (PubChem CID 23779044) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol.

Molecular Properties

Compound Name(1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol
PubChem CID23779044
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol
SMILESOCCC[C@@H](O)c1ccccc1OCCO
InChIInChI=1S/C12H18O4/c13-7-3-5-11(15)10-4-1-2-6-12(10)16-9-8-14/h1-2,4,6,11,13-15H,3,5,7-9H2/t11-/m1/s1
InChIKeyZWRHIHGBQANSKF-LLVKDONJSA-N
XLogP0.86
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
1,5-dihydroxy-1,5-bis[2-(2-hydroxyethoxy)phenyl]-2,4-dimethylpentan-3-one
CID 175584858
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol?
The IUPAC name of (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol (CID 23779044) is (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol.
What is the SMILES notation for (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol?
The canonical SMILES for (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol is OCCC[C@@H](O)c1ccccc1OCCO.
What is the InChIKey of (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol?
The InChIKey is ZWRHIHGBQANSKF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O4/c13-7-3-5-11(15)10-4-1-2-6-12(10)16-9-8-14/h1-2,4,6,11,13-15H,3,5,7-9H2/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol?
(1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol has a molecular weight of 226.27 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-hydroxyethoxy)phenyl]butane-1,4-diol is sourced from PubChem (CID 23779044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).