1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol

C13H20O4 — CID 63364683

IUPAC1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCOc1cc([C@@H](C)O)ccc1OCC(C)(C)O
InChIInChI=1S/C13H20O4/c1-9(14)10-5-6-11(12(7-10)16-4)17-8-13(2,3)15/h5-7,9,14-15H,8H2,1-4H3/t9-/m1/s1
InChIKeyDWLIMFVFYZBLSE-SECBINFHSA-N
MW240.30 g/mol
LogP1.90
Rot. Bonds5

About 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol

1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol (PubChem CID 63364683) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
PubChem CID63364683
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCOc1cc([C@@H](C)O)ccc1OCC(C)(C)O
InChIInChI=1S/C13H20O4/c1-9(14)10-5-6-11(12(7-10)16-4)17-8-13(2,3)15/h5-7,9,14-15H,8H2,1-4H3/t9-/m1/s1
InChIKeyDWLIMFVFYZBLSE-SECBINFHSA-N
XLogP1.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074
3-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79624742
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 43503877
(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
CID 78931308
(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 63364673
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol (CID 63364683) is 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol is COc1cc([C@@H](C)O)ccc1OCC(C)(C)O.
What is the InChIKey of 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol?
The InChIKey is DWLIMFVFYZBLSE-SECBINFHSA-N. The full InChI is InChI=1S/C13H20O4/c1-9(14)10-5-6-11(12(7-10)16-4)17-8-13(2,3)15/h5-7,9,14-15H,8H2,1-4H3/t9-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol?
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 63364683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).