1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol

C20H14O3 — CID 25069766

IUPAC1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol
SMILESOc1cccc(-c2ccc3c(-c4ccoc4)c(O)ccc3c2)c1
InChIInChI=1S/C20H14O3/c21-17-3-1-2-13(11-17)14-4-6-18-15(10-14)5-7-19(22)20(18)16-8-9-23-12-16/h1-12,21-22H
InChIKeyJSDSGVSHOBWCCM-UHFFFAOYSA-N
MW302.33 g/mol
LogP5.18
Rot. Bonds2

About 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol

1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol (PubChem CID 25069766) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol
PubChem CID25069766
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol
SMILESOc1cccc(-c2ccc3c(-c4ccoc4)c(O)ccc3c2)c1
InChIInChI=1S/C20H14O3/c21-17-3-1-2-13(11-17)14-4-6-18-15(10-14)5-7-19(22)20(18)16-8-9-23-12-16/h1-12,21-22H
InChIKeyJSDSGVSHOBWCCM-UHFFFAOYSA-N
XLogP5.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.33
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol (CID 25069766) is 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol is Oc1cccc(-c2ccc3c(-c4ccoc4)c(O)ccc3c2)c1.
What is the InChIKey of 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is JSDSGVSHOBWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c21-17-3-1-2-13(11-17)14-4-6-18-15(10-14)5-7-19(22)20(18)16-8-9-23-12-16/h1-12,21-22H.
What are the key properties of 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 302.33 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-6-(3-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 25069766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).