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

C14H22O3 — CID 114265284

IUPAC1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
SMILESC[C@@H](O)c1ccc(OCC(O)C(C)(C)C)cc1
InChIInChI=1S/C14H22O3/c1-10(15)11-5-7-12(8-6-11)17-9-13(16)14(2,3)4/h5-8,10,13,15-16H,9H2,1-4H3/t10-,13?/m1/s1
InChIKeyDWGQJZRWUSWWLY-VUUHIHSGSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds4

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

1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol (PubChem CID 114265284) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
PubChem CID114265284
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
SMILESC[C@@H](O)c1ccc(OCC(O)C(C)(C)C)cc1
InChIInChI=1S/C14H22O3/c1-10(15)11-5-7-12(8-6-11)17-9-13(16)14(2,3)4/h5-8,10,13,15-16H,9H2,1-4H3/t10-,13?/m1/s1
InChIKeyDWGQJZRWUSWWLY-VUUHIHSGSA-N
XLogP2.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-dimethyl-1-phenoxybutan-2-ol;ethane
CID 162239037
1-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291
(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
CID 104928926
N-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]acetamide
CID 114265317
3-[4-[(1R)-1-hydroxyethyl]phenoxy]-2-methylpropanamide
CID 63364284
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 78954639
3-[4-[(1S)-1-aminoethyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900014
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 78930168

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol (CID 114265284) is 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol is C[C@@H](O)c1ccc(OCC(O)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol?
The InChIKey is DWGQJZRWUSWWLY-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(15)11-5-7-12(8-6-11)17-9-13(16)14(2,3)4/h5-8,10,13,15-16H,9H2,1-4H3/t10-,13?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol?
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 114265284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).