(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone

C16H14O4 — CID 70649024

IUPAC(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)C1COc2ccccc2C1O
InChIInChI=1S/C16H14O4/c17-11-7-5-10(6-8-11)15(18)13-9-20-14-4-2-1-3-12(14)16(13)19/h1-8,13,16-17,19H,9H2
InChIKeyVJNPVMGECILWCN-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.32
Rot. Bonds2

About (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone

(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone (PubChem CID 70649024) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone
PubChem CID70649024
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)C1COc2ccccc2C1O
InChIInChI=1S/C16H14O4/c17-11-7-5-10(6-8-11)15(18)13-9-20-14-4-2-1-3-12(14)16(13)19/h1-8,13,16-17,19H,9H2
InChIKeyVJNPVMGECILWCN-UHFFFAOYSA-N
XLogP2.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone (CID 70649024) is (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)C1COc2ccccc2C1O.
What is the InChIKey of (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is VJNPVMGECILWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-11-7-5-10(6-8-11)15(18)13-9-20-14-4-2-1-3-12(14)16(13)19/h1-8,13,16-17,19H,9H2.
What are the key properties of (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone?
(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 270.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 70649024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).