(5-hydroxynaphthalen-1-yl) furan-2-carboxylate

C15H10O4 — CID 7314053

IUPAC(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
SMILESO=C(Oc1cccc2c(O)cccc12)c1ccco1
InChIInChI=1S/C15H10O4/c16-12-6-1-5-11-10(12)4-2-7-13(11)19-15(17)14-8-3-9-18-14/h1-9,16H
InChIKeyHUOFRUDBAYDVKA-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.36
Rot. Bonds2

About (5-hydroxynaphthalen-1-yl) furan-2-carboxylate

(5-hydroxynaphthalen-1-yl) furan-2-carboxylate (PubChem CID 7314053) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is (5-hydroxynaphthalen-1-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
PubChem CID7314053
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
SMILESO=C(Oc1cccc2c(O)cccc12)c1ccco1
InChIInChI=1S/C15H10O4/c16-12-6-1-5-11-10(12)4-2-7-13(11)19-15(17)14-8-3-9-18-14/h1-9,16H
InChIKeyHUOFRUDBAYDVKA-UHFFFAOYSA-N
XLogP3.36
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
CID 91716966
(5-hydroxynaphthalen-1-yl) 4-chlorobenzoate
CID 7313966
(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
CID 44583499
[(2R,8S,14S,20R)-6,16,18-tris(furan-2-carbonyloxy)-10,12,22,24-tetrahydroxy-2,8,14,20-tetramethyl-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl] furan-2-carboxylate
CID 10510035
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
CID 91700525
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
[2-(furan-2-carbonylamino)-3-pyridinyl] furan-2-carboxylate
CID 17018639
(3-chloro-4-pyridinyl) furan-2-carboxylate
CID 23182895
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
CID 141376921
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896

Frequently Asked Questions

What is the IUPAC name of (5-hydroxynaphthalen-1-yl) furan-2-carboxylate?
The IUPAC name of (5-hydroxynaphthalen-1-yl) furan-2-carboxylate (CID 7314053) is (5-hydroxynaphthalen-1-yl) furan-2-carboxylate.
What is the SMILES notation for (5-hydroxynaphthalen-1-yl) furan-2-carboxylate?
The canonical SMILES for (5-hydroxynaphthalen-1-yl) furan-2-carboxylate is O=C(Oc1cccc2c(O)cccc12)c1ccco1.
What is the InChIKey of (5-hydroxynaphthalen-1-yl) furan-2-carboxylate?
The InChIKey is HUOFRUDBAYDVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-12-6-1-5-11-10(12)4-2-7-13(11)19-15(17)14-8-3-9-18-14/h1-9,16H.
What are the key properties of (5-hydroxynaphthalen-1-yl) furan-2-carboxylate?
(5-hydroxynaphthalen-1-yl) furan-2-carboxylate has a molecular weight of 254.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxynaphthalen-1-yl) furan-2-carboxylate is sourced from PubChem (CID 7314053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).