furan-2-carboxylic acid;3-phenylpropan-1-ol

C14H16O4 — CID 174709444

IUPACfuran-2-carboxylic acid;3-phenylpropan-1-ol
SMILESO=C(O)c1ccco1.OCCCc1ccccc1
InChIInChI=1S/C9H12O.C5H4O3/c10-8-4-7-9-5-2-1-3-6-9;6-5(7)4-2-1-3-8-4/h1-3,5-6,10H,4,7-8H2;1-3H,(H,6,7)
InChIKeyWLQWKWWCFGIOED-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.59
Rot. Bonds4

About furan-2-carboxylic acid;3-phenylpropan-1-ol

furan-2-carboxylic acid;3-phenylpropan-1-ol (PubChem CID 174709444) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is furan-2-carboxylic acid;3-phenylpropan-1-ol.

Molecular Properties

Compound Namefuran-2-carboxylic acid;3-phenylpropan-1-ol
PubChem CID174709444
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Namefuran-2-carboxylic acid;3-phenylpropan-1-ol
SMILESO=C(O)c1ccco1.OCCCc1ccccc1
InChIInChI=1S/C9H12O.C5H4O3/c10-8-4-7-9-5-2-1-3-6-9;6-5(7)4-2-1-3-8-4/h1-3,5-6,10H,4,7-8H2;1-3H,(H,6,7)
InChIKeyWLQWKWWCFGIOED-UHFFFAOYSA-N
XLogP2.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-carboxylic acid;3-phenylpropan-1-ol?
The IUPAC name of furan-2-carboxylic acid;3-phenylpropan-1-ol (CID 174709444) is furan-2-carboxylic acid;3-phenylpropan-1-ol.
What is the SMILES notation for furan-2-carboxylic acid;3-phenylpropan-1-ol?
The canonical SMILES for furan-2-carboxylic acid;3-phenylpropan-1-ol is O=C(O)c1ccco1.OCCCc1ccccc1.
What is the InChIKey of furan-2-carboxylic acid;3-phenylpropan-1-ol?
The InChIKey is WLQWKWWCFGIOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C5H4O3/c10-8-4-7-9-5-2-1-3-6-9;6-5(7)4-2-1-3-8-4/h1-3,5-6,10H,4,7-8H2;1-3H,(H,6,7).
What are the key properties of furan-2-carboxylic acid;3-phenylpropan-1-ol?
furan-2-carboxylic acid;3-phenylpropan-1-ol has a molecular weight of 248.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboxylic acid;3-phenylpropan-1-ol is sourced from PubChem (CID 174709444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).