2-phenyl-3-(3-phenylmethoxypropyl)oxirane

C18H20O2 — CID 13389573

IUPAC2-phenyl-3-(3-phenylmethoxypropyl)oxirane
SMILESc1ccc(COCCCC2OC2c2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-3-8-15(9-4-1)14-19-13-7-12-17-18(20-17)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2
InChIKeyMKBWWSDPOJBZAM-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.12
Rot. Bonds7

About 2-phenyl-3-(3-phenylmethoxypropyl)oxirane

2-phenyl-3-(3-phenylmethoxypropyl)oxirane (PubChem CID 13389573) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-phenyl-3-(3-phenylmethoxypropyl)oxirane.

Molecular Properties

Compound Name2-phenyl-3-(3-phenylmethoxypropyl)oxirane
PubChem CID13389573
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-phenyl-3-(3-phenylmethoxypropyl)oxirane
SMILESc1ccc(COCCCC2OC2c2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-3-8-15(9-4-1)14-19-13-7-12-17-18(20-17)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2
InChIKeyMKBWWSDPOJBZAM-UHFFFAOYSA-N
XLogP4.12
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,3R)-3-(3-phenylmethoxypropyl)oxiran-2-yl]ethanone
CID 135054286
2-(3-bromopropyl)-3-phenyloxirane
CID 134870798
(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane
CID 135762701
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
(4S,5S)-4-[3-[(4-methoxyphenyl)methoxy]propyl]-2-phenyl-1,3-dioxan-5-ol
CID 11268344
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
CID 136908341
CID 136908341
(2S,3R)-3-(2-phenylmethoxyethyl)oxirane-2-carbaldehyde
CID 131847944
[(2R,3S)-3-phenyloxiran-2-yl]methanamine
CID 10964671
butoxymethylbenzene;ethane
CID 145341806

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3-phenylmethoxypropyl)oxirane?
The IUPAC name of 2-phenyl-3-(3-phenylmethoxypropyl)oxirane (CID 13389573) is 2-phenyl-3-(3-phenylmethoxypropyl)oxirane.
What is the SMILES notation for 2-phenyl-3-(3-phenylmethoxypropyl)oxirane?
The canonical SMILES for 2-phenyl-3-(3-phenylmethoxypropyl)oxirane is c1ccc(COCCCC2OC2c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-(3-phenylmethoxypropyl)oxirane?
The InChIKey is MKBWWSDPOJBZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-8-15(9-4-1)14-19-13-7-12-17-18(20-17)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2.
What are the key properties of 2-phenyl-3-(3-phenylmethoxypropyl)oxirane?
2-phenyl-3-(3-phenylmethoxypropyl)oxirane has a molecular weight of 268.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3-phenylmethoxypropyl)oxirane is sourced from PubChem (CID 13389573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).