2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one

C15H14O3 — CID 163945627

IUPAC2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2)OC2=C1C=CCC2
InChIInChI=1S/C15H14O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1,3,5-8,15-16H,2,4,9H2
InChIKeyRUVCIKKKBSYMOB-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.03
Rot. Bonds1

About 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one

2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one (PubChem CID 163945627) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one
PubChem CID163945627
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one
SMILESO=C1CC(c2ccc(O)cc2)OC2=C1C=CCC2
InChIInChI=1S/C15H14O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1,3,5-8,15-16H,2,4,9H2
InChIKeyRUVCIKKKBSYMOB-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one (CID 163945627) is 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one is O=C1CC(c2ccc(O)cc2)OC2=C1C=CCC2.
What is the InChIKey of 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one?
The InChIKey is RUVCIKKKBSYMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1,3,5-8,15-16H,2,4,9H2.
What are the key properties of 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one?
2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one has a molecular weight of 242.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2,3,7,8-tetrahydrochromen-4-one is sourced from PubChem (CID 163945627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).