1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one

C19H22O6 — CID 161090757

IUPAC1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(CCC(=O)c2c(O)cc(OC)cc2O)cc1O
InChIInChI=1S/C19H22O6/c1-3-8-25-18-7-5-12(9-15(18)21)4-6-14(20)19-16(22)10-13(24-2)11-17(19)23/h5,7,9-11,21-23H,3-4,6,8H2,1-2H3
InChIKeyUHDHJDHQWFCRDA-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.42
Rot. Bonds8

About 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one

1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one (PubChem CID 161090757) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one
PubChem CID161090757
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(CCC(=O)c2c(O)cc(OC)cc2O)cc1O
InChIInChI=1S/C19H22O6/c1-3-8-25-18-7-5-12(9-15(18)21)4-6-14(20)19-16(22)10-13(24-2)11-17(19)23/h5,7,9-11,21-23H,3-4,6,8H2,1-2H3
InChIKeyUHDHJDHQWFCRDA-UHFFFAOYSA-N
XLogP3.42
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 12649334
1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 118898649
1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
CID 71367224
1-[2,6-dihydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 68519297
CID 158607345
CID 158607345
4-propoxybenzene-1,3-diol
CID 66563298
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
3-(4-hydroxy-3-methoxyphenyl)propanoic acid;propyl 3-(3-methoxy-4-propoxyphenyl)propanoate
CID 161403308
sodium 2-[3,5-dihydroxy-4-[(E)-N-hydroxy-C-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbonimidoyl]phenoxy]acetate
CID 135755531
methyl 3-(3-bromo-4-propoxyphenyl)propanoate
CID 11449462
3-(4-hydroxy-3-methylphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 140751635

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one (CID 161090757) is 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one is CCCOc1ccc(CCC(=O)c2c(O)cc(OC)cc2O)cc1O.
What is the InChIKey of 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one?
The InChIKey is UHDHJDHQWFCRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-3-8-25-18-7-5-12(9-15(18)21)4-6-14(20)19-16(22)10-13(24-2)11-17(19)23/h5,7,9-11,21-23H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one?
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one has a molecular weight of 346.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 161090757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).