ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate

C15H22O4 — CID 132550748

IUPACethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate
SMILESCCOC(=O)C(O)CC(OC(C)C)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-18-15(17)13(16)10-14(19-11(2)3)12-8-6-5-7-9-12/h5-9,11,13-14,16H,4,10H2,1-3H3
InChIKeyUNQXTXUQXCUOPC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.47
Rot. Bonds7

About ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate

ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate (PubChem CID 132550748) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate
PubChem CID132550748
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate
SMILESCCOC(=O)C(O)CC(OC(C)C)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-18-15(17)13(16)10-14(19-11(2)3)12-8-6-5-7-9-12/h5-9,11,13-14,16H,4,10H2,1-3H3
InChIKeyUNQXTXUQXCUOPC-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mandelic Acid
CID 1292
Ethyl 3-phenylglycidate
CID 8469
(S)-mandelic acid
CID 439616
(-)-Mandelic acid
CID 11914
Ethyl mandelate
CID 13050
Methoxyphenylacetic acid
CID 107202
Benzyl lactate
CID 98054
METHYL beta-PHENYLGLYCIDATE
CID 86834
(+-)-Methyl mandelate
CID 78066
WF 3681
CID 128356
Ethyl phenyllactate, (+-)-
CID 6429708
Ethoxydiphenylacetic acid
CID 24119

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate?
The IUPAC name of ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate (CID 132550748) is ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate.
What is the SMILES notation for ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate?
The canonical SMILES for ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate is CCOC(=O)C(O)CC(OC(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate?
The InChIKey is UNQXTXUQXCUOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-18-15(17)13(16)10-14(19-11(2)3)12-8-6-5-7-9-12/h5-9,11,13-14,16H,4,10H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate?
ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate has a molecular weight of 266.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-phenyl-4-propan-2-yloxybutanoate is sourced from PubChem (CID 132550748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).