2-(2-chloro-4-phenylmethoxyphenyl)oxirane

C15H13ClO2 — CID 146020828

IUPAC2-(2-chloro-4-phenylmethoxyphenyl)oxirane
SMILESClc1cc(OCc2ccccc2)ccc1C1CO1
InChIInChI=1S/C15H13ClO2/c16-14-8-12(6-7-13(14)15-10-18-15)17-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2
InChIKeyASSLBZOFOJTSOZ-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.99
Rot. Bonds4

About 2-(2-chloro-4-phenylmethoxyphenyl)oxirane

2-(2-chloro-4-phenylmethoxyphenyl)oxirane (PubChem CID 146020828) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylmethoxyphenyl)oxirane.

Molecular Properties

Compound Name2-(2-chloro-4-phenylmethoxyphenyl)oxirane
PubChem CID146020828
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-(2-chloro-4-phenylmethoxyphenyl)oxirane
SMILESClc1cc(OCc2ccccc2)ccc1C1CO1
InChIInChI=1S/C15H13ClO2/c16-14-8-12(6-7-13(14)15-10-18-15)17-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2
InChIKeyASSLBZOFOJTSOZ-UHFFFAOYSA-N
XLogP3.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.99
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-[2-chloro-4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]-1,3-dioxolane
CID 70338619
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
2-(2-chloro-4-phenylmethoxyphenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 53406356
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
CID 50888850
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
4-benzyl-6-(4-phenylmethoxyphenyl)morpholine-3-carbaldehyde
CID 174661002

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylmethoxyphenyl)oxirane?
The IUPAC name of 2-(2-chloro-4-phenylmethoxyphenyl)oxirane (CID 146020828) is 2-(2-chloro-4-phenylmethoxyphenyl)oxirane.
What is the SMILES notation for 2-(2-chloro-4-phenylmethoxyphenyl)oxirane?
The canonical SMILES for 2-(2-chloro-4-phenylmethoxyphenyl)oxirane is Clc1cc(OCc2ccccc2)ccc1C1CO1.
What is the InChIKey of 2-(2-chloro-4-phenylmethoxyphenyl)oxirane?
The InChIKey is ASSLBZOFOJTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-14-8-12(6-7-13(14)15-10-18-15)17-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2.
What are the key properties of 2-(2-chloro-4-phenylmethoxyphenyl)oxirane?
2-(2-chloro-4-phenylmethoxyphenyl)oxirane has a molecular weight of 260.72 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylmethoxyphenyl)oxirane is sourced from PubChem (CID 146020828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).