ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate

C15H14O3 — CID 131876701

IUPACethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H14O3/c1-2-18-15(17)8-4-11-3-5-13-10-14(16)7-6-12(13)9-11/h3-10,16H,2H2,1H3
InChIKeyPUSSUECRTCMDAR-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.12
Rot. Bonds3

About ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate

ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate (PubChem CID 131876701) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
PubChem CID131876701
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Nameethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H14O3/c1-2-18-15(17)8-4-11-3-5-13-10-14(16)7-6-12(13)9-11/h3-10,16H,2H2,1H3
InChIKeyPUSSUECRTCMDAR-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 176901661
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
CID 169480915
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 86730658
ethyl (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoate
CID 10775274
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
ethyl 3-(7-bromobiphenylen-2-yl)prop-2-enoate
CID 54346207
5-(3-ethoxy-3-oxoprop-1-enyl)-1-benzofuran-2-carboxylic acid
CID 169480947

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate (CID 131876701) is ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate is CCOC(=O)C=Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate?
The InChIKey is PUSSUECRTCMDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-2-18-15(17)8-4-11-3-5-13-10-14(16)7-6-12(13)9-11/h3-10,16H,2H2,1H3.
What are the key properties of ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate?
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate has a molecular weight of 242.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate is sourced from PubChem (CID 131876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).