ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate

C14H18O4 — CID 162410416

IUPACethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate
SMILESC=C(C[C@@H](O)COc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H18O4/c1-3-17-14(16)11(2)9-12(15)10-18-13-7-5-4-6-8-13/h4-8,12,15H,2-3,9-10H2,1H3/t12-/m1/s1
InChIKeyDCGMVNKUNQHOKK-GFCCVEGCSA-N
MW250.29 g/mol
LogP1.94
Rot. Bonds7

About ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate

ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate (PubChem CID 162410416) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate.

Molecular Properties

Compound Nameethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate
PubChem CID162410416
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate
SMILESC=C(C[C@@H](O)COc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H18O4/c1-3-17-14(16)11(2)9-12(15)10-18-13-7-5-4-6-8-13/h4-8,12,15H,2-3,9-10H2,1H3/t12-/m1/s1
InChIKeyDCGMVNKUNQHOKK-GFCCVEGCSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-3-phenoxypropyl) 2-methylidenebutanoate
CID 149436973
ethyl (4R)-4-hydroxy-2-methylidene-4-phenylbutanoate
CID 101053661
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
ethyl (3S)-3-hydroxy-4-(4-methylphenoxy)butanoate
CID 129404710
ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
CID 10752945
[(2S)-2-hydroxy-3-phenoxypropyl] butanoate
CID 102180796
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
5-hydroxy-2-methyl-6-(4-phenylphenoxy)hex-1-en-3-one
CID 139744476
ethyl (4R)-4-acetyloxy-2-methylidene-4-phenylbutanoate
CID 11207729
ethyl (4R)-4-hydroxy-2-methylidene-4-(4-methylphenyl)butanoate
CID 162411306
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
(1-hydroxy-3-phenoxypropan-2-yl) 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate
CID 160914554

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate?
The IUPAC name of ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate (CID 162410416) is ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate.
What is the SMILES notation for ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate?
The canonical SMILES for ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate is C=C(C[C@@H](O)COc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate?
The InChIKey is DCGMVNKUNQHOKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-17-14(16)11(2)9-12(15)10-18-13-7-5-4-6-8-13/h4-8,12,15H,2-3,9-10H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate?
ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate has a molecular weight of 250.29 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate is sourced from PubChem (CID 162410416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).