methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate

C14H19NO4 — CID 143233804

IUPACmethyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate
SMILESCCCON=C(CC(=O)OC)Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-3-8-19-15-12(10-14(17)18-2)9-11-4-6-13(16)7-5-11/h4-7,16H,3,8-10H2,1-2H3
InChIKeyAWMFXCJIPTWJHZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.28
Rot. Bonds7

About methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate

methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate (PubChem CID 143233804) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate
PubChem CID143233804
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate
SMILESCCCON=C(CC(=O)OC)Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-3-8-19-15-12(10-14(17)18-2)9-11-4-6-13(16)7-5-11/h4-7,16H,3,8-10H2,1-2H3
InChIKeyAWMFXCJIPTWJHZ-UHFFFAOYSA-N
XLogP2.28
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxyphenyl)-3-propoxyiminobutanoic acid
CID 143233808
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
(3E)-4-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-3-propoxyiminobutanoic acid
CID 87893615
methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 2-[4-[(1S)-1-propoxyethyl]phenyl]acetate
CID 124500474
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate
CID 117267991
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]acetamide
CID 110515651

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate?
The IUPAC name of methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate (CID 143233804) is methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate.
What is the SMILES notation for methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate?
The canonical SMILES for methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate is CCCON=C(CC(=O)OC)Cc1ccc(O)cc1.
What is the InChIKey of methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate?
The InChIKey is AWMFXCJIPTWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-8-19-15-12(10-14(17)18-2)9-11-4-6-13(16)7-5-11/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate?
methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate has a molecular weight of 265.31 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxyphenyl)-3-propoxyiminobutanoate is sourced from PubChem (CID 143233804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).