7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one

C19H18O5 — CID 158483004

IUPAC7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one
SMILESCOc1c(CO)cc(OC)c2c(=O)cc(-c3ccc(C)cc3)oc12
InChIInChI=1S/C19H18O5/c1-11-4-6-12(7-5-11)15-9-14(21)17-16(22-2)8-13(10-20)18(23-3)19(17)24-15/h4-9,20H,10H2,1-3H3
InChIKeyHHTGFJODJXWAGS-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.28
Rot. Bonds4

About 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one

7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one (PubChem CID 158483004) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one
PubChem CID158483004
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one
SMILESCOc1c(CO)cc(OC)c2c(=O)cc(-c3ccc(C)cc3)oc12
InChIInChI=1S/C19H18O5/c1-11-4-6-12(7-5-11)15-9-14(21)17-16(22-2)8-13(10-20)18(23-3)19(17)24-15/h4-9,20H,10H2,1-3H3
InChIKeyHHTGFJODJXWAGS-UHFFFAOYSA-N
XLogP3.28
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
[7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 23259396
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
[2-[4-[[(3R)-3-ethylheptanoyl]oxymethyl]phenyl]-5,8-dimethoxy-4-oxochromen-7-yl] 4-methylbenzoate
CID 162903924
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one
CID 164597629
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
CID 130230703

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one (CID 158483004) is 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one is COc1c(CO)cc(OC)c2c(=O)cc(-c3ccc(C)cc3)oc12.
What is the InChIKey of 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one?
The InChIKey is HHTGFJODJXWAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-11-4-6-12(7-5-11)15-9-14(21)17-16(22-2)8-13(10-20)18(23-3)19(17)24-15/h4-9,20H,10H2,1-3H3.
What are the key properties of 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one?
7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one has a molecular weight of 326.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 158483004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).