ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate

C14H16O3 — CID 76832044

IUPACethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(O)c2c1CCC2
InChIInChI=1S/C14H16O3/c1-2-17-14(16)9-7-10-6-8-13(15)12-5-3-4-11(10)12/h6-9,15H,2-5H2,1H3
InChIKeyFOMGQKKTASTBNA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds3

About ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate

ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate (PubChem CID 76832044) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate
PubChem CID76832044
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(O)c2c1CCC2
InChIInChI=1S/C14H16O3/c1-2-17-14(16)9-7-10-6-8-13(15)12-5-3-4-11(10)12/h6-9,15H,2-5H2,1H3
InChIKeyFOMGQKKTASTBNA-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
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

ethyl 3-(4-hydroxy-2,3-dimethoxyphenyl)prop-2-enoate
CID 174504187
ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
CID 6441630
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 86730658
ethyl (Z)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 90656941
ethyl (E)-3-(5-fluoro-2-hydroxyphenyl)prop-2-enoate
CID 23919060
ethyl (Z)-3-[4-hydroxy-2,3-bis(trifluoromethyl)phenyl]prop-2-enoate
CID 87973811
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl (E)-3-(2-bromo-4-hydroxyphenyl)prop-2-enoate
CID 118198345
ethyl 3-(5-fluoro-4-hydroxy-2-methylphenyl)prop-2-enoate
CID 76832046
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate (CID 76832044) is ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate is CCOC(=O)C=Cc1ccc(O)c2c1CCC2.
What is the InChIKey of ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate?
The InChIKey is FOMGQKKTASTBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-17-14(16)9-7-10-6-8-13(15)12-5-3-4-11(10)12/h6-9,15H,2-5H2,1H3.
What are the key properties of ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate?
ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate is sourced from PubChem (CID 76832044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).