methyl (2R)-2-(4-phenylphenoxy)propanoate

C16H16O3 — CID 7085245

IUPACmethyl (2R)-2-(4-phenylphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-12(16(17)18-2)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3/t12-/m1/s1
InChIKeySKFXZHGCUKGGBZ-GFCCVEGCSA-N
MW256.30 g/mol
LogP3.29
Rot. Bonds4

About methyl (2R)-2-(4-phenylphenoxy)propanoate

methyl (2R)-2-(4-phenylphenoxy)propanoate (PubChem CID 7085245) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl (2R)-2-(4-phenylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-phenylphenoxy)propanoate
PubChem CID7085245
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl (2R)-2-(4-phenylphenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-12(16(17)18-2)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3/t12-/m1/s1
InChIKeySKFXZHGCUKGGBZ-GFCCVEGCSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
CID 2571565
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
methoxycarbonyl 2-phenoxypropanoate
CID 174370299
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
cyclohexyl 2-(4-phenylphenoxy)propanoate
CID 23961617
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
N-methyl-2-(4-phenylphenoxy)-N-propan-2-ylpropanamide
CID 78859617
methyl (2R)-2-(4-phenylnaphthalen-2-yl)oxypropanoate
CID 890999
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
CID 2792535

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-phenylphenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(4-phenylphenoxy)propanoate (CID 7085245) is methyl (2R)-2-(4-phenylphenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-phenylphenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(4-phenylphenoxy)propanoate is COC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl (2R)-2-(4-phenylphenoxy)propanoate?
The InChIKey is SKFXZHGCUKGGBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(16(17)18-2)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(4-phenylphenoxy)propanoate?
methyl (2R)-2-(4-phenylphenoxy)propanoate has a molecular weight of 256.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-phenylphenoxy)propanoate is sourced from PubChem (CID 7085245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).