8-(hydroxymethyl)-2-phenylchromen-4-one

C16H12O3 — CID 141073629

IUPAC8-(hydroxymethyl)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(CO)cccc12
InChIInChI=1S/C16H12O3/c17-10-12-7-4-8-13-14(18)9-15(19-16(12)13)11-5-2-1-3-6-11/h1-9,17H,10H2
InChIKeyBOWIBGLIJSNXRB-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.95
Rot. Bonds2

About 8-(hydroxymethyl)-2-phenylchromen-4-one

8-(hydroxymethyl)-2-phenylchromen-4-one (PubChem CID 141073629) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 8-(hydroxymethyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-2-phenylchromen-4-one
PubChem CID141073629
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name8-(hydroxymethyl)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(CO)cccc12
InChIInChI=1S/C16H12O3/c17-10-12-7-4-8-13-14(18)9-15(19-16(12)13)11-5-2-1-3-6-11/h1-9,17H,10H2
InChIKeyBOWIBGLIJSNXRB-UHFFFAOYSA-N
XLogP2.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-benzyl-2-phenylchromen-4-one
CID 69123022
sodium 2-(4-oxo-2-phenylchromen-8-yl)acetate
CID 23682652
4-oxo-2-phenylchromene-8-carbaldehyde
CID 13233926
2-[2-(4-nitrophenyl)-4-oxochromen-8-yl]acetic acid
CID 50991648
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
2-phenylchromen-4-one
CID 90124083
2-[2-(2,6-difluorophenyl)-4-oxochromen-8-yl]acetic acid
CID 19741674
copper;2-phenylchromen-4-one
CID 175169427
8-phenylfuro[3,2-h]chromen-6-one
CID 162925153
bis(dihydroxy(oxo)phosphanium);7,8-dihydroxy-2-phenylchromen-4-one
CID 175725603
2-[2-(4-chloro-3-nitrophenyl)-4-oxochromen-8-yl]acetic acid
CID 19897271
2-(3-sulfanylphenyl)benzo[h]chromen-4-one
CID 155518659

Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-2-phenylchromen-4-one?
The IUPAC name of 8-(hydroxymethyl)-2-phenylchromen-4-one (CID 141073629) is 8-(hydroxymethyl)-2-phenylchromen-4-one.
What is the SMILES notation for 8-(hydroxymethyl)-2-phenylchromen-4-one?
The canonical SMILES for 8-(hydroxymethyl)-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2c(CO)cccc12.
What is the InChIKey of 8-(hydroxymethyl)-2-phenylchromen-4-one?
The InChIKey is BOWIBGLIJSNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-10-12-7-4-8-13-14(18)9-15(19-16(12)13)11-5-2-1-3-6-11/h1-9,17H,10H2.
What are the key properties of 8-(hydroxymethyl)-2-phenylchromen-4-one?
8-(hydroxymethyl)-2-phenylchromen-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-2-phenylchromen-4-one is sourced from PubChem (CID 141073629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).