butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate

C15H20O3 — CID 89277524

IUPACbutyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate
SMILESCCCCOC(=O)C=Cc1ccc(C(C)O)cc1
InChIInChI=1S/C15H20O3/c1-3-4-11-18-15(17)10-7-13-5-8-14(9-6-13)12(2)16/h5-10,12,16H,3-4,11H2,1-2H3
InChIKeyDBHAZDXKTBUBKE-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.10
Rot. Bonds6

About butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate

butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate (PubChem CID 89277524) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namebutyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate
PubChem CID89277524
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namebutyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate
SMILESCCCCOC(=O)C=Cc1ccc(C(C)O)cc1
InChIInChI=1S/C15H20O3/c1-3-4-11-18-15(17)10-7-13-5-8-14(9-6-13)12(2)16/h5-10,12,16H,3-4,11H2,1-2H3
InChIKeyDBHAZDXKTBUBKE-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

octadecyl 3-[4-(3-octadecoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54159184
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
butyl (E)-3-(4-butan-2-yloxyphenyl)prop-2-enoate
CID 130331796
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854
butyl (E)-3-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enoate
CID 56950890
hexacosyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 516554
butyl 3-(4-nitrophenyl)prop-2-enoate
CID 53427420
butyl 3-[4-[3-[6-[6-[3-[4-(3-butoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoyloxy]hexoxy-hydroxyphosphoryl]oxyhexoxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 154199339
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
2-butoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6450437
ethyl (E)-3-[4-[(E)-3-butoxy-3-oxoprop-1-enyl]phenyl]but-2-enoate
CID 56950889
propyl 3-(4-aminophenyl)prop-2-enoate
CID 154395217

Frequently Asked Questions

What is the IUPAC name of butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate?
The IUPAC name of butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate (CID 89277524) is butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate.
What is the SMILES notation for butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate?
The canonical SMILES for butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate is CCCCOC(=O)C=Cc1ccc(C(C)O)cc1.
What is the InChIKey of butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate?
The InChIKey is DBHAZDXKTBUBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-4-11-18-15(17)10-7-13-5-8-14(9-6-13)12(2)16/h5-10,12,16H,3-4,11H2,1-2H3.
What are the key properties of butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate?
butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[4-(1-hydroxyethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 89277524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).