(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

C16H14O4 — CID 139082569

IUPAC(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC[C@@H](c1ccc(O)cc1)C2=O
InChIInChI=1S/C16H14O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
InChIKeyYVVQDVPHBJABPW-AWEZNQCLSA-N
MW270.28 g/mol
LogP2.76
Rot. Bonds2

About (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one

(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 139082569) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID139082569
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC[C@@H](c1ccc(O)cc1)C2=O
InChIInChI=1S/C16H14O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
InChIKeyYVVQDVPHBJABPW-AWEZNQCLSA-N
XLogP2.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
3-(4-ethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 25178059
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;[4-(7-methyl-4-oxo-2,3-dihydrochromen-3-yl)phenyl] acetate
CID 162201532
7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 22033214
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 154678052
3-(4-hydroxyphenyl)-7-(4-piperidin-1-ylbutoxy)-2,3-dihydrochromen-4-one;hydrobromide
CID 175142288
7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169447672
6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane
CID 142024864
7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
1-(2-hydroxy-4-methylphenyl)-2-pyridin-4-ylethanone;7-methoxy-3-pyridin-4-yl-2,3-dihydrochromen-4-one
CID 161071393

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one (CID 139082569) is (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC[C@@H](c1ccc(O)cc1)C2=O.
What is the InChIKey of (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is YVVQDVPHBJABPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1.
What are the key properties of (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one?
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 270.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 139082569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).