propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate

C14H20O4 — CID 141491206

IUPACpropan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
SMILESCOc1ccc(CO[C@@H](C)C(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O4/c1-10(2)18-14(15)11(3)17-9-12-5-7-13(16-4)8-6-12/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1
InChIKeyRUDYTFLUMPGVHQ-NSHDSACASA-N
MW252.31 g/mol
LogP2.55
Rot. Bonds6

About propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate

propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate (PubChem CID 141491206) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
PubChem CID141491206
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namepropan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
SMILESCOc1ccc(CO[C@@H](C)C(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O4/c1-10(2)18-14(15)11(3)17-9-12-5-7-13(16-4)8-6-12/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1
InChIKeyRUDYTFLUMPGVHQ-NSHDSACASA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z,2S)-2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 121458348
2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 78069334
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
CID 11425295
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate (CID 141491206) is propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate is COc1ccc(CO[C@@H](C)C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate?
The InChIKey is RUDYTFLUMPGVHQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20O4/c1-10(2)18-14(15)11(3)17-9-12-5-7-13(16-4)8-6-12/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate?
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate has a molecular weight of 252.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate is sourced from PubChem (CID 141491206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).