1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol

C14H22O3 — CID 104930630

IUPAC1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COc1cccc([C@@H](C)O)c1
InChIInChI=1S/C14H22O3/c1-10(2)14(4,16)9-17-13-7-5-6-12(8-13)11(3)15/h5-8,10-11,15-16H,9H2,1-4H3/t11-,14?/m1/s1
InChIKeyKROUORXDSOCTQD-YNODCEANSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds5

About 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol

1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 104930630) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
PubChem CID104930630
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COc1cccc([C@@H](C)O)c1
InChIInChI=1S/C14H22O3/c1-10(2)14(4,16)9-17-13-7-5-6-12(8-13)11(3)15/h5-8,10-11,15-16H,9H2,1-4H3/t11-,14?/m1/s1
InChIKeyKROUORXDSOCTQD-YNODCEANSA-N
XLogP2.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
CID 114494412
1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
CID 114447732
2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 114491732
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
1-[3-(2-hydroxy-2,3-dimethylbutoxy)phenyl]ethanone
CID 114447778
1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
CID 116789730
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol (CID 104930630) is 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)COc1cccc([C@@H](C)O)c1.
What is the InChIKey of 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is KROUORXDSOCTQD-YNODCEANSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(2)14(4,16)9-17-13-7-5-6-12(8-13)11(3)15/h5-8,10-11,15-16H,9H2,1-4H3/t11-,14?/m1/s1.
What are the key properties of 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol?
1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 104930630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).