(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane

C10H11FO2 — CID 130493263

IUPAC(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
SMILESCc1cc(OC[C@@H]2CO2)ccc1F
InChIInChI=1S/C10H11FO2/c1-7-4-8(2-3-10(7)11)12-5-9-6-13-9/h2-4,9H,5-6H2,1H3/t9-/m1/s1
InChIKeyMCGYNMOMUDFWKU-SECBINFHSA-N
MW182.19 g/mol
LogP1.91
Rot. Bonds3

About (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane

(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane (PubChem CID 130493263) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
PubChem CID130493263
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
SMILESCc1cc(OC[C@@H]2CO2)ccc1F
InChIInChI=1S/C10H11FO2/c1-7-4-8(2-3-10(7)11)12-5-9-6-13-9/h2-4,9H,5-6H2,1H3/t9-/m1/s1
InChIKeyMCGYNMOMUDFWKU-SECBINFHSA-N
XLogP1.91
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.91
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

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
CID 40802006
2-methyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 18475217
methyl (Z)-3-(4-fluoro-3-methylphenyl)-2-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-enoate
CID 87568966
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697
2-[(3,4-dibromo-5-methylphenoxy)methyl]oxirane
CID 101298514
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
2-[[4-methyl-7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
CID 163890567
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane?
The IUPAC name of (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane (CID 130493263) is (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane.
What is the SMILES notation for (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane?
The canonical SMILES for (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane is Cc1cc(OC[C@@H]2CO2)ccc1F.
What is the InChIKey of (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane?
The InChIKey is MCGYNMOMUDFWKU-SECBINFHSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7-4-8(2-3-10(7)11)12-5-9-6-13-9/h2-4,9H,5-6H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane?
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane has a molecular weight of 182.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane is sourced from PubChem (CID 130493263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).