3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol

C17H18O6 — CID 5326313

IUPAC3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol
SMILESCOc1ccc(C2COc3c(ccc(O)c3OC)C2)c(O)c1O
InChIInChI=1S/C17H18O6/c1-21-13-6-4-11(14(19)15(13)20)10-7-9-3-5-12(18)17(22-2)16(9)23-8-10/h3-6,10,18-20H,7-8H2,1-2H3
InChIKeyUUQKWUICQAXXMK-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.54
Rot. Bonds3

About 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol

3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol (PubChem CID 5326313) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol.

Molecular Properties

Compound Name3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol
PubChem CID5326313
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol
SMILESCOc1ccc(C2COc3c(ccc(O)c3OC)C2)c(O)c1O
InChIInChI=1S/C17H18O6/c1-21-13-6-4-11(14(19)15(13)20)10-7-9-3-5-12(18)17(22-2)16(9)23-8-10/h3-6,10,18-20H,7-8H2,1-2H3
InChIKeyUUQKWUICQAXXMK-UHFFFAOYSA-N
XLogP2.54
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 163043371
(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 70252444
4-[(3R)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 124578570
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
CID 5319689
7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
CID 42604484
3-methoxy-6-[(3R,8R)-8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
CID 162912952
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol
CID 152894090
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol
CID 166888963
(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 44567055
ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 170902617

Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol?
The IUPAC name of 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol (CID 5326313) is 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol.
What is the SMILES notation for 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol?
The canonical SMILES for 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol is COc1ccc(C2COc3c(ccc(O)c3OC)C2)c(O)c1O.
What is the InChIKey of 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol?
The InChIKey is UUQKWUICQAXXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-21-13-6-4-11(14(19)15(13)20)10-7-9-3-5-12(18)17(22-2)16(9)23-8-10/h3-6,10,18-20H,7-8H2,1-2H3.
What are the key properties of 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol?
3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol has a molecular weight of 318.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol is sourced from PubChem (CID 5326313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).