oxan-2-ylmethyl 3-phenylbenzoate

C19H20O3 — CID 23625075

IUPACoxan-2-ylmethyl 3-phenylbenzoate
SMILESO=C(OCC1CCCCO1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H20O3/c20-19(22-14-18-11-4-5-12-21-18)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14H2
InChIKeySORQFDYFCUHRFU-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.08
Rot. Bonds4

About oxan-2-ylmethyl 3-phenylbenzoate

oxan-2-ylmethyl 3-phenylbenzoate (PubChem CID 23625075) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is oxan-2-ylmethyl 3-phenylbenzoate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 3-phenylbenzoate
PubChem CID23625075
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameoxan-2-ylmethyl 3-phenylbenzoate
SMILESO=C(OCC1CCCCO1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H20O3/c20-19(22-14-18-11-4-5-12-21-18)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14H2
InChIKeySORQFDYFCUHRFU-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[(2S)-oxan-2-yl]methyl 3-(methylsulfonylmethyl)benzoate
CID 94871804
oxolan-2-ylmethyl 3-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17178851
oxan-2-ylmethyl 3-amino-4-methylbenzoate
CID 60730857
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862
oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599251
oxan-2-ylmethyl 4-amino-3-methoxybenzoate
CID 104783910
oxan-2-ylmethyl 4-methyl-3-sulfamoylbenzoate
CID 60730484
oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate
CID 78888195
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 3-phenylbenzoate?
The IUPAC name of oxan-2-ylmethyl 3-phenylbenzoate (CID 23625075) is oxan-2-ylmethyl 3-phenylbenzoate.
What is the SMILES notation for oxan-2-ylmethyl 3-phenylbenzoate?
The canonical SMILES for oxan-2-ylmethyl 3-phenylbenzoate is O=C(OCC1CCCCO1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of oxan-2-ylmethyl 3-phenylbenzoate?
The InChIKey is SORQFDYFCUHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-19(22-14-18-11-4-5-12-21-18)17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14H2.
What are the key properties of oxan-2-ylmethyl 3-phenylbenzoate?
oxan-2-ylmethyl 3-phenylbenzoate has a molecular weight of 296.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 3-phenylbenzoate is sourced from PubChem (CID 23625075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).