ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate

C15H20O5 — CID 66907011

IUPACethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(O)c(OCCCOC)c1
InChIInChI=1S/C15H20O5/c1-3-19-15(17)8-6-12-5-7-13(16)14(11-12)20-10-4-9-18-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyOBBQTJWKZONYGW-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.38
Rot. Bonds8

About ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate

ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate (PubChem CID 66907011) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
PubChem CID66907011
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nameethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(O)c(OCCCOC)c1
InChIInChI=1S/C15H20O5/c1-3-19-15(17)8-6-12-5-7-13(16)14(11-12)20-10-4-9-18-2/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyOBBQTJWKZONYGW-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

2-methoxyethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 86717646
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
CID 175420096
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
24-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11967021
2-methoxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 138530546
ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate
CID 134093301
octadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 5320256
icosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6440080
pentacosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 163044714
nonadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 101186931
pentadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 11407056
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate (CID 66907011) is ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(O)c(OCCCOC)c1.
What is the InChIKey of ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate?
The InChIKey is OBBQTJWKZONYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-3-19-15(17)8-6-12-5-7-13(16)14(11-12)20-10-4-9-18-2/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate?
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 66907011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).