2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

C23H22O6 — CID 146393584

IUPAC2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SMILESCOc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OCc1ccccc1
InChIInChI=1S/C23H22O6/c1-27-20-8-7-15(9-22(20)28-13-14-5-3-2-4-6-14)23-19(26)12-17-18(25)10-16(24)11-21(17)29-23/h2-11,19,23-26H,12-13H2,1H3
InChIKeyRTZNEKLVQPYVJA-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.72
Rot. Bonds5

About 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 146393584) has the molecular formula C23H22O6 and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

Compound Name2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
PubChem CID146393584
Molecular FormulaC23H22O6
Molecular Weight394.42 g/mol
Exact Mass394.14
IUPAC Name2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SMILESCOc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OCc1ccccc1
InChIInChI=1S/C23H22O6/c1-27-20-8-7-15(9-22(20)28-13-14-5-3-2-4-6-14)23-19(26)12-17-18(25)10-16(24)11-21(17)29-23/h2-11,19,23-26H,12-13H2,1H3
InChIKeyRTZNEKLVQPYVJA-UHFFFAOYSA-N
XLogP3.72
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
CID 134951203
5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol
CID 146270563
2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 607273
[2-methoxy-5-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] hydrogen sulfate
CID 71579211
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 90393387
[2-methoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulfate
CID 71251657
3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid
CID 78054226
[2-methoxycarbonyloxy-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] methyl carbonate
CID 86271617
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-3,5-bis(phenylmethoxy)-3,4-dihydro-2H-chromene;(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 159881200
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 158527508
[2-hydroxy-4-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 102421449

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?
The IUPAC name of 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (CID 146393584) is 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol.
What is the SMILES notation for 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?
The canonical SMILES for 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OCc1ccccc1.
What is the InChIKey of 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?
The InChIKey is RTZNEKLVQPYVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O6/c1-27-20-8-7-15(9-22(20)28-13-14-5-3-2-4-6-14)23-19(26)12-17-18(25)10-16(24)11-21(17)29-23/h2-11,19,23-26H,12-13H2,1H3.
What are the key properties of 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol?
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 394.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 146393584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).