(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane

C18H20O2 — CID 125496560

IUPAC(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane
SMILESCc1cccc(C)c1[C@H](OC[C@H]1CO1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13-7-6-8-14(2)17(13)18(20-12-16-11-19-16)15-9-4-3-5-10-15/h3-10,16,18H,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyDSGQAEWEHGGHHC-SJLPKXTDSA-N
MW268.36 g/mol
LogP3.81
Rot. Bonds5

About (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane

(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane (PubChem CID 125496560) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane
PubChem CID125496560
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane
SMILESCc1cccc(C)c1[C@H](OC[C@H]1CO1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13-7-6-8-14(2)17(13)18(20-12-16-11-19-16)15-9-4-3-5-10-15/h3-10,16,18H,11-12H2,1-2H3/t16-,18-/m1/s1
InChIKeyDSGQAEWEHGGHHC-SJLPKXTDSA-N
XLogP3.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2,6-dimethylphenyl)methoxymethyl]oxirane
CID 14810466
2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 3549326
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
2-[methoxy(phenyl)methyl]-1,3-dimethylbenzene
CID 117071500
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol
CID 57092971
2-(1-phenylprop-2-enoxymethyl)oxirane
CID 22186254
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane (CID 125496560) is (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane is Cc1cccc(C)c1[C@H](OC[C@H]1CO1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane?
The InChIKey is DSGQAEWEHGGHHC-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-7-6-8-14(2)17(13)18(20-12-16-11-19-16)15-9-4-3-5-10-15/h3-10,16,18H,11-12H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane?
(2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane has a molecular weight of 268.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(R)-(2,6-dimethylphenyl)-phenylmethoxy]methyl]oxirane is sourced from PubChem (CID 125496560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).