2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol

C12H16O3 — CID 89046389

IUPAC2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
SMILESCc1c(O)cccc1[C@@H](C)OC[C@H]1CO1
InChIInChI=1S/C12H16O3/c1-8-11(4-3-5-12(8)13)9(2)14-6-10-7-15-10/h3-5,9-10,13H,6-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyQOKSPTKGENDXOC-ZJUUUORDSA-N
MW208.26 g/mol
LogP2.18
Rot. Bonds4

About 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol

2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol (PubChem CID 89046389) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol.

Molecular Properties

Compound Name2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
PubChem CID89046389
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
SMILESCc1c(O)cccc1[C@@H](C)OC[C@H]1CO1
InChIInChI=1S/C12H16O3/c1-8-11(4-3-5-12(8)13)9(2)14-6-10-7-15-10/h3-5,9-10,13H,6-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyQOKSPTKGENDXOC-ZJUUUORDSA-N
XLogP2.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methoxyphenyl)ethoxymethyl]oxirane
CID 22382426
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
CID 58662610
(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
CID 58572701
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
benzene;2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174448667
(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane
CID 89232851
ethyl (E)-3-[2-methyl-6-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate
CID 88572658
(2R)-2-[[(1R)-1-[2-bromo-3-(difluoromethoxy)phenyl]ethoxy]methyl]oxirane
CID 58572534
ethyl (E)-3-[2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]prop-2-enoate
CID 58572657
(2R)-2-[[(1R)-1-(2-bromo-3-fluoro-4-methylphenyl)ethoxy]methyl]oxirane
CID 58572447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol?
The IUPAC name of 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol (CID 89046389) is 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol.
What is the SMILES notation for 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol?
The canonical SMILES for 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol is Cc1c(O)cccc1[C@@H](C)OC[C@H]1CO1.
What is the InChIKey of 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol?
The InChIKey is QOKSPTKGENDXOC-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-11(4-3-5-12(8)13)9(2)14-6-10-7-15-10/h3-5,9-10,13H,6-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol?
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol has a molecular weight of 208.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol is sourced from PubChem (CID 89046389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).