ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate

C16H16O3 — CID 54022973

IUPACethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccc2ccccc2c1O
InChIInChI=1S/C16H16O3/c1-2-19-15(17)9-5-7-13-11-10-12-6-3-4-8-14(12)16(13)18/h3-8,10-11,18H,2,9H2,1H3
InChIKeyLAFIZFPNABDZPU-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.51
Rot. Bonds4

About ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate

ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate (PubChem CID 54022973) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate
PubChem CID54022973
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Nameethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccc2ccccc2c1O
InChIInChI=1S/C16H16O3/c1-2-19-15(17)9-5-7-13-11-10-12-6-3-4-8-14(12)16(13)18/h3-8,10-11,18H,2,9H2,1H3
InChIKeyLAFIZFPNABDZPU-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-methylphenyl)but-3-enoate
CID 86054840
ethyl 4-isoquinolin-1-ylbut-3-enoate
CID 170796327
ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170797038
ethyl 4-(2-amino-4-hydroxyphenyl)but-3-enoate
CID 170795886
ethyl 4-[2-(2-hydroxyethyl)phenyl]but-3-enoate
CID 170796058
ethyl 4-(2-acetamidophenyl)but-3-enoate
CID 170796592
ethyl 4-(2,6-difluoro-3-pyridinyl)but-3-enoate
CID 170795868
ethyl 4-(2-cyanophenyl)but-3-enoate
CID 170795854
ethyl 4-(2-amino-4-methylphenyl)but-3-enoate
CID 170795846
ethyl 4-(2-chloro-4-methylphenyl)but-3-enoate
CID 170795653
ethyl 4-(2,4-difluorophenyl)but-3-enoate
CID 170795691
ethyl 4-(4-hydroxy-3,5-dimethylphenyl)but-3-enoate
CID 170796048

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate?
The IUPAC name of ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate (CID 54022973) is ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate.
What is the SMILES notation for ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate?
The canonical SMILES for ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate is CCOC(=O)CC=Cc1ccc2ccccc2c1O.
What is the InChIKey of ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate?
The InChIKey is LAFIZFPNABDZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-19-15(17)9-5-7-13-11-10-12-6-3-4-8-14(12)16(13)18/h3-8,10-11,18H,2,9H2,1H3.
What are the key properties of ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate?
ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate has a molecular weight of 256.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-hydroxynaphthalen-2-yl)but-3-enoate is sourced from PubChem (CID 54022973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).