butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate

C14H18O4 — CID 70069057

IUPACbutyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
SMILESCCCCOC(=O)C=Cc1cc(OC)ccc1O
InChIInChI=1S/C14H18O4/c1-3-4-9-18-14(16)8-5-11-10-12(17-2)6-7-13(11)15/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyBAVAZRGYIKKSQK-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.76
Rot. Bonds6

About butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate

butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate (PubChem CID 70069057) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namebutyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
PubChem CID70069057
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namebutyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
SMILESCCCCOC(=O)C=Cc1cc(OC)ccc1O
InChIInChI=1S/C14H18O4/c1-3-4-9-18-14(16)8-5-11-10-12(17-2)6-7-13(11)15/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyBAVAZRGYIKKSQK-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
butyl 3-(2-acetamido-4-methoxyphenyl)prop-2-enoate
CID 76742238
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
(E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enamide
CID 55266805
octyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 175047565
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
4-(2-hydroxy-5-methoxyphenyl)but-3-en-2-one
CID 67020173
butyl (E)-3-[3-(3-methoxyphenyl)phenyl]prop-2-enoate
CID 102391690
butyl 3-(3-fluoro-4-hydroxyphenyl)prop-2-enoate
CID 77267688
tridecyl (E)-3-(2,4-dihydroxyphenyl)prop-2-enoate
CID 130431542

Frequently Asked Questions

What is the IUPAC name of butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate?
The IUPAC name of butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate (CID 70069057) is butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate?
The canonical SMILES for butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate is CCCCOC(=O)C=Cc1cc(OC)ccc1O.
What is the InChIKey of butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate?
The InChIKey is BAVAZRGYIKKSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-3-4-9-18-14(16)8-5-11-10-12(17-2)6-7-13(11)15/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate?
butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 70069057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).