3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol

C12H18O5 — CID 82851067

IUPAC3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
SMILESCOc1cc([C@H](C)O)ccc1OCC(O)CO
InChIInChI=1S/C12H18O5/c1-8(14)9-3-4-11(12(5-9)16-2)17-7-10(15)6-13/h3-5,8,10,13-15H,6-7H2,1-2H3/t8-,10?/m0/s1
InChIKeyVHTFKLTZHHFQOE-PEHGTWAWSA-N
MW242.27 g/mol
LogP0.48
Rot. Bonds6

About 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol

3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol (PubChem CID 82851067) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
PubChem CID82851067
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
SMILESCOc1cc([C@H](C)O)ccc1OCC(O)CO
InChIInChI=1S/C12H18O5/c1-8(14)9-3-4-11(12(5-9)16-2)17-7-10(15)6-13/h3-5,8,10,13-15H,6-7H2,1-2H3/t8-,10?/m0/s1
InChIKeyVHTFKLTZHHFQOE-PEHGTWAWSA-N
XLogP0.48
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-butoxy-3-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propan-2-ol
CID 107263386
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
(1R)-1-[4-(2,2-diethoxyethoxy)-3-methoxyphenyl]ethanol
CID 104928930
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
CID 78931308
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-(2-methoxy-4-propan-2-ylphenoxy)propan-2-ol
CID 171606885

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol (CID 82851067) is 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol is COc1cc([C@H](C)O)ccc1OCC(O)CO.
What is the InChIKey of 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol?
The InChIKey is VHTFKLTZHHFQOE-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H18O5/c1-8(14)9-3-4-11(12(5-9)16-2)17-7-10(15)6-13/h3-5,8,10,13-15H,6-7H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol?
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol has a molecular weight of 242.27 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol is sourced from PubChem (CID 82851067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).