7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one

C17H14O4 — CID 123634967

IUPAC7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one
SMILESO=c1cc(C(O)Cc2ccccc2)oc2cc(O)ccc12
InChIInChI=1S/C17H14O4/c18-12-6-7-13-14(19)10-17(21-16(13)9-12)15(20)8-11-4-2-1-3-5-11/h1-7,9-10,15,18,20H,8H2
InChIKeyQIPRSRXOEJAJAV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.77
Rot. Bonds3

About 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one

7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one (PubChem CID 123634967) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one
PubChem CID123634967
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one
SMILESO=c1cc(C(O)Cc2ccccc2)oc2cc(O)ccc12
InChIInChI=1S/C17H14O4/c18-12-6-7-13-14(19)10-17(21-16(13)9-12)15(20)8-11-4-2-1-3-5-11/h1-7,9-10,15,18,20H,8H2
InChIKeyQIPRSRXOEJAJAV-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802
7-hydroxy-2-phenylchromen-4-one
CID 5281894
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one
CID 10084377
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 10493135
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
4-[[benzyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one
CID 136513690
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
CID 13381781
3-(fluoromethyl)-7-hydroxy-2-phenylchromen-4-one
CID 141051987
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one?
The IUPAC name of 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one (CID 123634967) is 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one is O=c1cc(C(O)Cc2ccccc2)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one?
The InChIKey is QIPRSRXOEJAJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-12-6-7-13-14(19)10-17(21-16(13)9-12)15(20)8-11-4-2-1-3-5-11/h1-7,9-10,15,18,20H,8H2.
What are the key properties of 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one?
7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(1-hydroxy-2-phenylethyl)chromen-4-one is sourced from PubChem (CID 123634967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).