propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate

C14H18O3 — CID 102028913

IUPACpropan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate
SMILESC=C(C[C@@H](O)C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C14H18O3/c1-10(2)17-14(16)13(15)9-11(3)12-7-5-4-6-8-12/h4-8,10,13,15H,3,9H2,1-2H3/t13-/m1/s1
InChIKeyKQECAXFMPQPWOQ-CYBMUJFWSA-N
MW234.29 g/mol
LogP2.40
Rot. Bonds5

About propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate

propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate (PubChem CID 102028913) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate
PubChem CID102028913
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namepropan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate
SMILESC=C(C[C@@H](O)C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C14H18O3/c1-10(2)17-14(16)13(15)9-11(3)12-7-5-4-6-8-12/h4-8,10,13,15H,3,9H2,1-2H3/t13-/m1/s1
InChIKeyKQECAXFMPQPWOQ-CYBMUJFWSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
3-hydroxy-5-phenylhex-5-en-2-one
CID 129060443
butyl 2-hydroxy-4-phenylpent-4-enoate
CID 15878269
ethyl 2-fluoro-4-phenylpent-4-enoate
CID 166658649
triethyl 4-phenylpent-4-ene-1,1,2-tricarboxylate
CID 162400604
(2R)-2-methyl-4-phenylpent-4-en-1-ol
CID 10535285
5-phenyl-3-sulfanylhex-5-en-2-one
CID 129060444
methyl 2-(2-phenylprop-2-enylamino)propanoate
CID 115328198
2-hydroxy-4-phenylpent-4-enal
CID 134964349
propan-2-yl 2-benzoylsulfanylpropanoate
CID 71435819
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
[(Z)-hex-3-enyl] 2-methyl-4-phenylpent-4-enoate
CID 168866624

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate?
The IUPAC name of propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate (CID 102028913) is propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate.
What is the SMILES notation for propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate?
The canonical SMILES for propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate is C=C(C[C@@H](O)C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate?
The InChIKey is KQECAXFMPQPWOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)17-14(16)13(15)9-11(3)12-7-5-4-6-8-12/h4-8,10,13,15H,3,9H2,1-2H3/t13-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate?
propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate is sourced from PubChem (CID 102028913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).