4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol

C14H22O4 — CID 79355074

IUPAC4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
SMILESCOc1cc([C@H](C)O)ccc1OCCC(C)(C)O
InChIInChI=1S/C14H22O4/c1-10(15)11-5-6-12(13(9-11)17-4)18-8-7-14(2,3)16/h5-6,9-10,15-16H,7-8H2,1-4H3/t10-/m0/s1
InChIKeyIEMAJQVJOHNZHB-JTQLQIEISA-N
MW254.33 g/mol
LogP2.29
Rot. Bonds6

About 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol

4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol (PubChem CID 79355074) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
PubChem CID79355074
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
SMILESCOc1cc([C@H](C)O)ccc1OCCC(C)(C)O
InChIInChI=1S/C14H22O4/c1-10(15)11-5-6-12(13(9-11)17-4)18-8-7-14(2,3)16/h5-6,9-10,15-16H,7-8H2,1-4H3/t10-/m0/s1
InChIKeyIEMAJQVJOHNZHB-JTQLQIEISA-N
XLogP2.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651
(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol
CID 106726236
(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 63364673
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
4-[4-(1-hydroxyethyl)-2-methoxyphenoxy]butanenitrile
CID 43503833
4-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55189697
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol (CID 79355074) is 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol is COc1cc([C@H](C)O)ccc1OCCC(C)(C)O.
What is the InChIKey of 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol?
The InChIKey is IEMAJQVJOHNZHB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22O4/c1-10(15)11-5-6-12(13(9-11)17-4)18-8-7-14(2,3)16/h5-6,9-10,15-16H,7-8H2,1-4H3/t10-/m0/s1.
What are the key properties of 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol?
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79355074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).