(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol

C22H26O6 — CID 132850788

IUPAC(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(OC)c(OC)c(OC)c2)c2c1C=CC(C)(C)O2
InChIInChI=1S/C22H26O6/c1-22(2)10-9-14-16(24-3)8-7-15(20(14)28-22)19(23)13-11-17(25-4)21(27-6)18(12-13)26-5/h7-12,19,23H,1-6H3
InChIKeyQZEQRKCDNNBCLD-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.99
Rot. Bonds6

About (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol

(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 132850788) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol
PubChem CID132850788
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(OC)c(OC)c(OC)c2)c2c1C=CC(C)(C)O2
InChIInChI=1S/C22H26O6/c1-22(2)10-9-14-16(24-3)8-7-15(20(14)28-22)19(23)13-11-17(25-4)21(27-6)18(12-13)26-5/h7-12,19,23H,1-6H3
InChIKeyQZEQRKCDNNBCLD-UHFFFAOYSA-N
XLogP3.99
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol
CID 132850786
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol
CID 122196167
furan-3-yl-(3,4,5-trimethoxyphenyl)methanol
CID 63948143
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
CID 118199588
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
CID 107978790
[2-(18F)fluoro-1-(3,4,5-trimethoxyphenyl)ethyl] 2,2-dimethylchromene-6-carboxylate
CID 11640268
6-methoxy-9,9-dimethyl-2-propan-2-ylpyrano[3,2-h]chromen-4-one
CID 177433590
(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 62800710
(2-chloro-4-methoxypyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 15147552

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol (CID 132850788) is (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol is COc1ccc(C(O)c2cc(OC)c(OC)c(OC)c2)c2c1C=CC(C)(C)O2.
What is the InChIKey of (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is QZEQRKCDNNBCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-22(2)10-9-14-16(24-3)8-7-15(20(14)28-22)19(23)13-11-17(25-4)21(27-6)18(12-13)26-5/h7-12,19,23H,1-6H3.
What are the key properties of (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol?
(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 386.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 132850788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).