(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol

C11H16O3 — CID 101107331

IUPAC(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
SMILESCOC[C@@H](O)Cc1ccc(OC)cc1
InChIInChI=1S/C11H16O3/c1-13-8-10(12)7-9-3-5-11(14-2)6-4-9/h3-6,10,12H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyHWOOSWOICUTOSN-JTQLQIEISA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds5

About (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol

(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol (PubChem CID 101107331) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
PubChem CID101107331
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
SMILESCOC[C@@H](O)Cc1ccc(OC)cc1
InChIInChI=1S/C11H16O3/c1-13-8-10(12)7-9-3-5-11(14-2)6-4-9/h3-6,10,12H,7-8H2,1-2H3/t10-/m0/s1
InChIKeyHWOOSWOICUTOSN-JTQLQIEISA-N
XLogP1.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol (CID 101107331) is (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol is COC[C@@H](O)Cc1ccc(OC)cc1.
What is the InChIKey of (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol?
The InChIKey is HWOOSWOICUTOSN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O3/c1-13-8-10(12)7-9-3-5-11(14-2)6-4-9/h3-6,10,12H,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol?
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 101107331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).