methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate

C14H18O4 — CID 101474320

IUPACmethyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate
SMILESCOC(=O)/C=C(/CC(O)Cc1ccccc1)OC
InChIInChI=1S/C14H18O4/c1-17-13(10-14(16)18-2)9-12(15)8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3/b13-10-
InChIKeyQUTBJXUWHXDTQP-RAXLEYEMSA-N
MW250.29 g/mol
LogP1.68
Rot. Bonds6

About methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate

methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate (PubChem CID 101474320) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate
PubChem CID101474320
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate
SMILESCOC(=O)/C=C(/CC(O)Cc1ccccc1)OC
InChIInChI=1S/C14H18O4/c1-17-13(10-14(16)18-2)9-12(15)8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3/b13-10-
InChIKeyQUTBJXUWHXDTQP-RAXLEYEMSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-methoxy-5-phenylpent-2-enoate
CID 101474318
4-O-(2-hydroxy-3-phenylpropyl) 1-O-methyl but-2-enedioate
CID 54428904
methyl (3S)-3-hydroxy-4-(4-phenylphenyl)butanoate
CID 57115964
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469
benzyl (E)-3,5-dimethoxy-5-phenylpent-2-enoate
CID 71723279
(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one
CID 101206556
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
methyl 4-(2-hydroxy-3-phenylpropoxy)butanoate
CID 175954688
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
ethyl (Z)-5-anilino-3-methoxy-5-phenylpent-2-enoate
CID 102524333
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate?
The IUPAC name of methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate (CID 101474320) is methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate.
What is the SMILES notation for methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate?
The canonical SMILES for methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate is COC(=O)/C=C(/CC(O)Cc1ccccc1)OC.
What is the InChIKey of methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate?
The InChIKey is QUTBJXUWHXDTQP-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-13(10-14(16)18-2)9-12(15)8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3/b13-10-.
What are the key properties of methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate?
methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate is sourced from PubChem (CID 101474320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).