[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate

C19H17FO5 — CID 26256561

IUPAC[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
SMILESO=C(OC[C@H]1CCCO1)c1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H17FO5/c20-17-6-2-1-5-16(17)19(22)25-14-9-7-13(8-10-14)18(21)24-12-15-4-3-11-23-15/h1-2,5-10,15H,3-4,11-12H2/t15-/m1/s1
InChIKeyMDFDSADPLRUZDS-OAHLLOKOSA-N
MW344.34 g/mol
LogP3.38
Rot. Bonds5

About [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate

[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate (PubChem CID 26256561) has the molecular formula C19H17FO5 and a molecular weight of 344.34 g/mol. Its IUPAC name is [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
PubChem CID26256561
Molecular FormulaC19H17FO5
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
SMILESO=C(OC[C@H]1CCCO1)c1ccc(OC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H17FO5/c20-17-6-2-1-5-16(17)19(22)25-14-9-7-13(8-10-14)18(21)24-12-15-4-3-11-23-15/h1-2,5-10,15H,3-4,11-12H2/t15-/m1/s1
InChIKeyMDFDSADPLRUZDS-OAHLLOKOSA-N
XLogP3.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17201584
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-pentoxybenzoate
CID 17201582
(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 27147014
oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17201593
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-nitrobenzoate
CID 17201532
oxolan-2-ylmethyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 71887688
[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 97007291
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate
CID 71988295

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate?
The IUPAC name of [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate (CID 26256561) is [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate.
What is the SMILES notation for [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate?
The canonical SMILES for [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate is O=C(OC[C@H]1CCCO1)c1ccc(OC(=O)c2ccccc2F)cc1.
What is the InChIKey of [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate?
The InChIKey is MDFDSADPLRUZDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17FO5/c20-17-6-2-1-5-16(17)19(22)25-14-9-7-13(8-10-14)18(21)24-12-15-4-3-11-23-15/h1-2,5-10,15H,3-4,11-12H2/t15-/m1/s1.
What are the key properties of [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate?
[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate has a molecular weight of 344.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate is sourced from PubChem (CID 26256561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).