methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate

C15H20O5 — CID 11550899

IUPACmethyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(O)CCOCc1ccc(OC)cc1
InChIInChI=1S/C15H20O5/c1-11(15(17)19-3)14(16)8-9-20-10-12-4-6-13(18-2)7-5-12/h4-7,14,16H,1,8-10H2,2-3H3
InChIKeyYAOQKSDAUCCZEI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.69
Rot. Bonds8

About methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate

methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate (PubChem CID 11550899) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate
PubChem CID11550899
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namemethyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(O)CCOCc1ccc(OC)cc1
InChIInChI=1S/C15H20O5/c1-11(15(17)19-3)14(16)8-9-20-10-12-4-6-13(18-2)7-5-12/h4-7,14,16H,1,8-10H2,2-3H3
InChIKeyYAOQKSDAUCCZEI-UHFFFAOYSA-N
XLogP1.69
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
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(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
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1-(3-isocyanobutoxymethyl)-4-methoxybenzene
CID 86075538
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate?
The IUPAC name of methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate (CID 11550899) is methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate.
What is the SMILES notation for methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate?
The canonical SMILES for methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate is C=C(C(=O)OC)C(O)CCOCc1ccc(OC)cc1.
What is the InChIKey of methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate?
The InChIKey is YAOQKSDAUCCZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-11(15(17)19-3)14(16)8-9-20-10-12-4-6-13(18-2)7-5-12/h4-7,14,16H,1,8-10H2,2-3H3.
What are the key properties of methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate?
methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate has a molecular weight of 280.32 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate is sourced from PubChem (CID 11550899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).