2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol

C14H20O2 — CID 134895154

IUPAC2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol
SMILESC[C@@H](CC[C@@H]1OC1(C)C)c1ccccc1O
InChIInChI=1S/C14H20O2/c1-10(8-9-13-14(2,3)16-13)11-6-4-5-7-12(11)15/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyUWHPJDKTNZMKMH-GWCFXTLKSA-N
MW220.31 g/mol
LogP3.45
Rot. Bonds4

About 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol

2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol (PubChem CID 134895154) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol.

Molecular Properties

Compound Name2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol
PubChem CID134895154
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol
SMILESC[C@@H](CC[C@@H]1OC1(C)C)c1ccccc1O
InChIInChI=1S/C14H20O2/c1-10(8-9-13-14(2,3)16-13)11-6-4-5-7-12(11)15/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyUWHPJDKTNZMKMH-GWCFXTLKSA-N
XLogP3.45
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-4-[(2R)-3,3-dimethyloxiran-2-yl]butan-2-yl]-5-methylphenol
CID 71458646
2-(6-methylheptan-2-yl)phenol
CID 163037790
2,8-bis(2-hydroxyphenyl)nonan-5-one
CID 150620616
2-(1-fluoropropan-2-yl)phenol
CID 19048051
(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
CID 59051060
4-[4-(3,3-dimethyloxiran-2-yl)butan-2-yl]benzaldehyde
CID 91747470
2-(1-aminopropan-2-yl)phenol
CID 3028046
2-hept-5-en-2-ylphenol
CID 151668072
2-butan-2-ylphenol;formaldehyde
CID 66765994
tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
CID 154932101
2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
CID 83930477
2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82979016

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol?
The IUPAC name of 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol (CID 134895154) is 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol.
What is the SMILES notation for 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol?
The canonical SMILES for 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol is C[C@@H](CC[C@@H]1OC1(C)C)c1ccccc1O.
What is the InChIKey of 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol?
The InChIKey is UWHPJDKTNZMKMH-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(8-9-13-14(2,3)16-13)11-6-4-5-7-12(11)15/h4-7,10,13,15H,8-9H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol?
2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol has a molecular weight of 220.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol is sourced from PubChem (CID 134895154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).