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

C10H11ClO2 — CID 40802006

IUPAC(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
SMILESCc1ccc(OC[C@@H]2CO2)cc1Cl
InChIInChI=1S/C10H11ClO2/c1-7-2-3-8(4-10(7)11)12-5-9-6-13-9/h2-4,9H,5-6H2,1H3/t9-/m1/s1
InChIKeyVOZLOJMPDJOVQK-SECBINFHSA-N
MW198.65 g/mol
LogP2.43
Rot. Bonds3

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

(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane (PubChem CID 40802006) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
PubChem CID40802006
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
SMILESCc1ccc(OC[C@@H]2CO2)cc1Cl
InChIInChI=1S/C10H11ClO2/c1-7-2-3-8(4-10(7)11)12-5-9-6-13-9/h2-4,9H,5-6H2,1H3/t9-/m1/s1
InChIKeyVOZLOJMPDJOVQK-SECBINFHSA-N
XLogP2.43
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.43
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-chloro-4-(oxiran-2-ylmethoxy)benzonitrile
CID 87485257
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
2,6-dichloro-4-[[(2S)-oxiran-2-yl]methoxy]aniline
CID 58618737
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
(3-chloro-4-methylphenoxy)methylhydrazine
CID 91621764
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
2-methyl-6-[[(2S)-oxiran-2-yl]methoxy]-1,3-benzothiazole
CID 94044665
2-methyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 18475217
2-chloro-5-(oxiran-2-ylmethoxy)pyridine
CID 87132450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane?
The IUPAC name of (2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane (CID 40802006) is (2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane.
What is the SMILES notation for (2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane?
The canonical SMILES for (2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane is Cc1ccc(OC[C@@H]2CO2)cc1Cl.
What is the InChIKey of (2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane?
The InChIKey is VOZLOJMPDJOVQK-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7-2-3-8(4-10(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-[(3-chloro-4-methylphenoxy)methyl]oxirane?
(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane has a molecular weight of 198.65 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane is sourced from PubChem (CID 40802006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).