(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one

C18H18O5 — CID 163068081

IUPAC(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
SMILESCOc1ccc(C[C@@]2(O)COc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/C18H18O5/c1-21-13-5-3-12(4-6-13)10-18(20)11-23-16-9-14(22-2)7-8-15(16)17(18)19/h3-9,20H,10-11H2,1-2H3/t18-/m1/s1
InChIKeyJBKOVWAHSSJYCD-GOSISDBHSA-N
MW314.34 g/mol
LogP2.25
Rot. Bonds4

About (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one

(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one (PubChem CID 163068081) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
PubChem CID163068081
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
SMILESCOc1ccc(C[C@@]2(O)COc3cc(OC)ccc3C2=O)cc1
InChIInChI=1S/C18H18O5/c1-21-13-5-3-12(4-6-13)10-18(20)11-23-16-9-14(22-2)7-8-15(16)17(18)19/h3-9,20H,10-11H2,1-2H3/t18-/m1/s1
InChIKeyJBKOVWAHSSJYCD-GOSISDBHSA-N
XLogP2.25
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 71712960
(3R)-3-[(3,4-dimethoxyphenyl)methyl]-3,7-dihydroxy-2H-chromen-4-one
CID 102319604
7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277925
(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-chromen-4-one
CID 162969951
3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
CID 151487704
(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one
CID 91542886
3,5-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2H-chromen-4-one
CID 162974811
(3S)-3-butyl-3-(hydroxymethyl)-7-methoxy-2H-chromen-4-one
CID 101115256
(3R)-3-(hydroxymethyl)-7-methoxy-3-pentyl-2H-chromen-4-one
CID 101115257
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate
CID 101115263
3,3-dibromo-7-(4-methoxyphenyl)-2H-chromen-4-one
CID 69402758

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one?
The IUPAC name of (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one (CID 163068081) is (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one.
What is the SMILES notation for (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one?
The canonical SMILES for (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one is COc1ccc(C[C@@]2(O)COc3cc(OC)ccc3C2=O)cc1.
What is the InChIKey of (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one?
The InChIKey is JBKOVWAHSSJYCD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18O5/c1-21-13-5-3-12(4-6-13)10-18(20)11-23-16-9-14(22-2)7-8-15(16)17(18)19/h3-9,20H,10-11H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one?
(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one has a molecular weight of 314.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one is sourced from PubChem (CID 163068081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).