ethyl 9H-xanthene-1-carboxylate

C16H14O3 — CID 53405461

IUPACethyl 9H-xanthene-1-carboxylate
SMILESCCOC(=O)c1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C16H14O3/c1-2-18-16(17)12-7-5-9-15-13(12)10-11-6-3-4-8-14(11)19-15/h3-9H,2,10H2,1H3
InChIKeyQWTNFEUWKRGSPV-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.56
Rot. Bonds2

About ethyl 9H-xanthene-1-carboxylate

ethyl 9H-xanthene-1-carboxylate (PubChem CID 53405461) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethyl 9H-xanthene-1-carboxylate.

Molecular Properties

Compound Nameethyl 9H-xanthene-1-carboxylate
PubChem CID53405461
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Nameethyl 9H-xanthene-1-carboxylate
SMILESCCOC(=O)c1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C16H14O3/c1-2-18-16(17)12-7-5-9-15-13(12)10-11-6-3-4-8-14(11)19-15/h3-9H,2,10H2,1H3
InChIKeyQWTNFEUWKRGSPV-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 9H-xanthene-1-carboxylate;zinc
CID 66657389
CID 67123136
CID 67123136
methyl 9H-xanthene-1-carboxylate
CID 66809757
CID 67605368
CID 67605368
[di(icosyl)amino] 9H-xanthene-1-carboxylate
CID 87721871
neodymium(3+);tris(9H-xanthene-1-carboxylate)
CID 173018379
ethyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 141207282
bis[3-(diethylamino)propyl] 9H-xanthene-1,8-dicarboxylate
CID 154124105
benzoic acid;1-ethoxy-9H-xanthene
CID 67134400
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
2-(9H-xanthen-1-yloxy)benzoic acid
CID 175118326
sodium 2-methyl-9H-xanthene-1-carboxylate
CID 68828129

Frequently Asked Questions

What is the IUPAC name of ethyl 9H-xanthene-1-carboxylate?
The IUPAC name of ethyl 9H-xanthene-1-carboxylate (CID 53405461) is ethyl 9H-xanthene-1-carboxylate.
What is the SMILES notation for ethyl 9H-xanthene-1-carboxylate?
The canonical SMILES for ethyl 9H-xanthene-1-carboxylate is CCOC(=O)c1cccc2c1Cc1ccccc1O2.
What is the InChIKey of ethyl 9H-xanthene-1-carboxylate?
The InChIKey is QWTNFEUWKRGSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-18-16(17)12-7-5-9-15-13(12)10-11-6-3-4-8-14(11)19-15/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 9H-xanthene-1-carboxylate?
ethyl 9H-xanthene-1-carboxylate has a molecular weight of 254.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9H-xanthene-1-carboxylate is sourced from PubChem (CID 53405461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).