(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane

C15H13ClO2 — CID 101333877

IUPAC(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
SMILESCOc1ccc([C@@H]2O[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2/c1-17-13-8-4-11(5-9-13)15-14(18-15)10-2-6-12(16)7-3-10/h2-9,14-15H,1H3/t14-,15-/m0/s1
InChIKeyRQEOSDUSBSOBML-GJZGRUSLSA-N
MW260.72 g/mol
LogP4.16
Rot. Bonds3

About (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane

(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane (PubChem CID 101333877) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane.

Molecular Properties

Compound Name(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
PubChem CID101333877
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
SMILESCOc1ccc([C@@H]2O[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO2/c1-17-13-8-4-11(5-9-13)15-14(18-15)10-2-6-12(16)7-3-10/h2-9,14-15H,1H3/t14-,15-/m0/s1
InChIKeyRQEOSDUSBSOBML-GJZGRUSLSA-N
XLogP4.16
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.16
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

2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
anisole;1,4-dichlorobenzene
CID 175517246
4-(4-chlorophenyl)-3,5-bis(4-methoxyphenyl)-2-oxido-4,5-dihydro-1,2-oxazol-2-ium
CID 134695221
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
4-methoxy-6-[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]pyran-2-one
CID 163070862
(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane
CID 139093397
(2S,3R)-2-ethynyl-3-(4-methoxyphenyl)oxirane
CID 135891777
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane?
The IUPAC name of (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane (CID 101333877) is (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane.
What is the SMILES notation for (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane?
The canonical SMILES for (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane is COc1ccc([C@@H]2O[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane?
The InChIKey is RQEOSDUSBSOBML-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-17-13-8-4-11(5-9-13)15-14(18-15)10-2-6-12(16)7-3-10/h2-9,14-15H,1H3/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane?
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane has a molecular weight of 260.72 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane is sourced from PubChem (CID 101333877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).