ethyl 1-hydroxyphenanthrene-3-carboxylate

C17H14O3 — CID 101488924

IUPACethyl 1-hydroxyphenanthrene-3-carboxylate
SMILESCCOC(=O)c1cc(O)c2ccc3ccccc3c2c1
InChIInChI=1S/C17H14O3/c1-2-20-17(19)12-9-15-13-6-4-3-5-11(13)7-8-14(15)16(18)10-12/h3-10,18H,2H2,1H3
InChIKeyKRRKMWWKCBWUGG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.88
Rot. Bonds2

About ethyl 1-hydroxyphenanthrene-3-carboxylate

ethyl 1-hydroxyphenanthrene-3-carboxylate (PubChem CID 101488924) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 1-hydroxyphenanthrene-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxyphenanthrene-3-carboxylate
PubChem CID101488924
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Nameethyl 1-hydroxyphenanthrene-3-carboxylate
SMILESCCOC(=O)c1cc(O)c2ccc3ccccc3c2c1
InChIInChI=1S/C17H14O3/c1-2-20-17(19)12-9-15-13-6-4-3-5-11(13)7-8-14(15)16(18)10-12/h3-10,18H,2H2,1H3
InChIKeyKRRKMWWKCBWUGG-UHFFFAOYSA-N
XLogP3.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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methyl 1-phenylphenanthrene-3-carboxylate
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ethyl 4-amino-3,5-dihydroxybenzoate
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ethyl acetate;phenanthrene
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxyphenanthrene-3-carboxylate?
The IUPAC name of ethyl 1-hydroxyphenanthrene-3-carboxylate (CID 101488924) is ethyl 1-hydroxyphenanthrene-3-carboxylate.
What is the SMILES notation for ethyl 1-hydroxyphenanthrene-3-carboxylate?
The canonical SMILES for ethyl 1-hydroxyphenanthrene-3-carboxylate is CCOC(=O)c1cc(O)c2ccc3ccccc3c2c1.
What is the InChIKey of ethyl 1-hydroxyphenanthrene-3-carboxylate?
The InChIKey is KRRKMWWKCBWUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-20-17(19)12-9-15-13-6-4-3-5-11(13)7-8-14(15)16(18)10-12/h3-10,18H,2H2,1H3.
What are the key properties of ethyl 1-hydroxyphenanthrene-3-carboxylate?
ethyl 1-hydroxyphenanthrene-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxyphenanthrene-3-carboxylate is sourced from PubChem (CID 101488924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).