ethyl 6H-benzo[c]chromene-6-carboxylate

C16H14O3 — CID 3068343

IUPACethyl 6H-benzo[c]chromene-6-carboxylate
SMILESCCOC(=O)C1Oc2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O3/c1-2-18-16(17)15-13-9-4-3-7-11(13)12-8-5-6-10-14(12)19-15/h3-10,15H,2H2,1H3
InChIKeyHGUUQDBSPZNMDJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.35
Rot. Bonds2

About ethyl 6H-benzo[c]chromene-6-carboxylate

ethyl 6H-benzo[c]chromene-6-carboxylate (PubChem CID 3068343) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethyl 6H-benzo[c]chromene-6-carboxylate.

Molecular Properties

Compound Nameethyl 6H-benzo[c]chromene-6-carboxylate
PubChem CID3068343
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Nameethyl 6H-benzo[c]chromene-6-carboxylate
SMILESCCOC(=O)C1Oc2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O3/c1-2-18-16(17)15-13-9-4-3-7-11(13)12-8-5-6-10-14(12)19-15/h3-10,15H,2H2,1H3
InChIKeyHGUUQDBSPZNMDJ-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6H-benzo[c]chromene-6-carboxylate?
The IUPAC name of ethyl 6H-benzo[c]chromene-6-carboxylate (CID 3068343) is ethyl 6H-benzo[c]chromene-6-carboxylate.
What is the SMILES notation for ethyl 6H-benzo[c]chromene-6-carboxylate?
The canonical SMILES for ethyl 6H-benzo[c]chromene-6-carboxylate is CCOC(=O)C1Oc2ccccc2-c2ccccc21.
What is the InChIKey of ethyl 6H-benzo[c]chromene-6-carboxylate?
The InChIKey is HGUUQDBSPZNMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-18-16(17)15-13-9-4-3-7-11(13)12-8-5-6-10-14(12)19-15/h3-10,15H,2H2,1H3.
What are the key properties of ethyl 6H-benzo[c]chromene-6-carboxylate?
ethyl 6H-benzo[c]chromene-6-carboxylate has a molecular weight of 254.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6H-benzo[c]chromene-6-carboxylate is sourced from PubChem (CID 3068343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).