3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol

C14H20O2 — CID 144662143

IUPAC3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol
SMILESCc1cc(O)cc(C)c1C(C)(C)CC1CO1
InChIInChI=1S/C14H20O2/c1-9-5-11(15)6-10(2)13(9)14(3,4)7-12-8-16-12/h5-6,12,15H,7-8H2,1-4H3
InChIKeyXJFSBGRHSZELQE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.08
Rot. Bonds3

About 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol

3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol (PubChem CID 144662143) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol
PubChem CID144662143
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol
SMILESCc1cc(O)cc(C)c1C(C)(C)CC1CO1
InChIInChI=1S/C14H20O2/c1-9-5-11(15)6-10(2)13(9)14(3,4)7-12-8-16-12/h5-6,12,15H,7-8H2,1-4H3
InChIKeyXJFSBGRHSZELQE-UHFFFAOYSA-N
XLogP3.08
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-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

(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
3-methyl-4-(2-methylbutan-2-yl)-5-(trifluoromethyl)phenol
CID 121384532
1-(oxiran-2-yl)-2-phenylpropan-2-ol
CID 11644018
(2S)-2,3,3-trimethyl-1-[(2R)-oxiran-2-yl]butan-2-ol
CID 125461857
4-tert-butyl-3-chloro-5-methylphenol
CID 166610575
3-(2-methylpropyl)-5-(oxiran-2-ylmethoxy)phenol
CID 87904637
3,5-dimethyl-4-[2-(2,4,6-trimethylphenyl)propan-2-ylsulfanyl]phenol
CID 143067151
4-(2,2-dimethylpropyl)-3,5-dimethylphenol
CID 134338479
5,11,17-tritert-butyl-23-(oxiran-2-ylmethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol
CID 10699418
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol (CID 144662143) is 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol is Cc1cc(O)cc(C)c1C(C)(C)CC1CO1.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol?
The InChIKey is XJFSBGRHSZELQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9-5-11(15)6-10(2)13(9)14(3,4)7-12-8-16-12/h5-6,12,15H,7-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol?
3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol has a molecular weight of 220.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-methyl-1-(oxiran-2-yl)propan-2-yl]phenol is sourced from PubChem (CID 144662143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).