furan-2-ylmethyl 9H-xanthene-9-carboxylate

C19H14O4 — CID 831636

IUPACfuran-2-ylmethyl 9H-xanthene-9-carboxylate
SMILESO=C(OCc1ccco1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H14O4/c20-19(22-12-13-6-5-11-21-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-11,18H,12H2
InChIKeyNFTQVPUPBCLAHD-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.26
Rot. Bonds3

About furan-2-ylmethyl 9H-xanthene-9-carboxylate

furan-2-ylmethyl 9H-xanthene-9-carboxylate (PubChem CID 831636) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is furan-2-ylmethyl 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Namefuran-2-ylmethyl 9H-xanthene-9-carboxylate
PubChem CID831636
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Namefuran-2-ylmethyl 9H-xanthene-9-carboxylate
SMILESO=C(OCc1ccco1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H14O4/c20-19(22-12-13-6-5-11-21-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-11,18H,12H2
InChIKeyNFTQVPUPBCLAHD-UHFFFAOYSA-N
XLogP4.26
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 9H-xanthene-9-carboxylate?
The IUPAC name of furan-2-ylmethyl 9H-xanthene-9-carboxylate (CID 831636) is furan-2-ylmethyl 9H-xanthene-9-carboxylate.
What is the SMILES notation for furan-2-ylmethyl 9H-xanthene-9-carboxylate?
The canonical SMILES for furan-2-ylmethyl 9H-xanthene-9-carboxylate is O=C(OCc1ccco1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of furan-2-ylmethyl 9H-xanthene-9-carboxylate?
The InChIKey is NFTQVPUPBCLAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-19(22-12-13-6-5-11-21-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-11,18H,12H2.
What are the key properties of furan-2-ylmethyl 9H-xanthene-9-carboxylate?
furan-2-ylmethyl 9H-xanthene-9-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 9H-xanthene-9-carboxylate is sourced from PubChem (CID 831636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).