1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol

C15H24O4 — CID 114494404

IUPAC1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
SMILESCOc1cc(C(C)O)ccc1OCC(C)(O)C(C)C
InChIInChI=1S/C15H24O4/c1-10(2)15(4,17)9-19-13-7-6-12(11(3)16)8-14(13)18-5/h6-8,10-11,16-17H,9H2,1-5H3
InChIKeyNTSSLTOYWQAFBL-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.53
Rot. Bonds6

About 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol

1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114494404) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114494404
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
SMILESCOc1cc(C(C)O)ccc1OCC(C)(O)C(C)C
InChIInChI=1S/C15H24O4/c1-10(2)15(4,17)9-19-13-7-6-12(11(3)16)8-14(13)18-5/h6-8,10-11,16-17H,9H2,1-5H3
InChIKeyNTSSLTOYWQAFBL-UHFFFAOYSA-N
XLogP2.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
3-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79624742
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491652
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
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
(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-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol (CID 114494404) is 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol is COc1cc(C(C)O)ccc1OCC(C)(O)C(C)C.
What is the InChIKey of 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is NTSSLTOYWQAFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(2)15(4,17)9-19-13-7-6-12(11(3)16)8-14(13)18-5/h6-8,10-11,16-17H,9H2,1-5H3.
What are the key properties of 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 268.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114494404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).