[2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate

C19H20O5 — CID 123744890

IUPAC[2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate
SMILESCC(=O)Oc1ccc(OCc2ccccc2)cc1OCC1(C)CO1
InChIInChI=1S/C19H20O5/c1-14(20)24-17-9-8-16(21-11-15-6-4-3-5-7-15)10-18(17)22-12-19(2)13-23-19/h3-10H,11-13H2,1-2H3
InChIKeyRQEGUDFCWTZBPW-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.36
Rot. Bonds7

About [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate

[2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate (PubChem CID 123744890) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate.

Molecular Properties

Compound Name[2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate
PubChem CID123744890
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate
SMILESCC(=O)Oc1ccc(OCc2ccccc2)cc1OCC1(C)CO1
InChIInChI=1S/C19H20O5/c1-14(20)24-17-9-8-16(21-11-15-6-4-3-5-7-15)10-18(17)22-12-19(2)13-23-19/h3-10H,11-13H2,1-2H3
InChIKeyRQEGUDFCWTZBPW-UHFFFAOYSA-N
XLogP3.36
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
benzyl 2,5-bis[[4-[(2-methyloxiran-2-yl)methoxy]benzoyl]oxy]benzoate
CID 58309228
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide
CID 87636836
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
2-[2-[[(2S)-2-methyloxiran-2-yl]methoxy]phenyl]acetic acid
CID 87485339
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
(3-bromo-2-oxo-7-phenylmethoxychromen-4-yl) acetate
CID 46845317

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate?
The IUPAC name of [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate (CID 123744890) is [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate.
What is the SMILES notation for [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate?
The canonical SMILES for [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate is CC(=O)Oc1ccc(OCc2ccccc2)cc1OCC1(C)CO1.
What is the InChIKey of [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate?
The InChIKey is RQEGUDFCWTZBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-14(20)24-17-9-8-16(21-11-15-6-4-3-5-7-15)10-18(17)22-12-19(2)13-23-19/h3-10H,11-13H2,1-2H3.
What are the key properties of [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate?
[2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate has a molecular weight of 328.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyloxiran-2-yl)methoxy]-4-phenylmethoxyphenyl] acetate is sourced from PubChem (CID 123744890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).