(2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol

C18H18O5 — CID 101023171

IUPAC(2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol
SMILESCOc1ccc([C@H]2Oc3c(ccc(OC)c3OC)C=C2O)cc1
InChIInChI=1S/C18H18O5/c1-20-13-7-4-11(5-8-13)16-14(19)10-12-6-9-15(21-2)18(22-3)17(12)23-16/h4-10,16,19H,1-3H3/t16-/m1/s1
InChIKeyBYMUVIIJIZXGKF-MRXNPFEDSA-N
MW314.34 g/mol
LogP3.74
Rot. Bonds4

About (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol

(2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol (PubChem CID 101023171) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol.

Molecular Properties

Compound Name(2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol
PubChem CID101023171
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol
SMILESCOc1ccc([C@H]2Oc3c(ccc(OC)c3OC)C=C2O)cc1
InChIInChI=1S/C18H18O5/c1-20-13-7-4-11(5-8-13)16-14(19)10-12-6-9-15(21-2)18(22-3)17(12)23-16/h4-10,16,19H,1-3H3/t16-/m1/s1
InChIKeyBYMUVIIJIZXGKF-MRXNPFEDSA-N
XLogP3.74
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 11002087
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
[(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 163011084
7,8-dimethoxy-3-nitro-2H-chromene
CID 91620578
7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
CID 42604484
(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-3,4-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314451
4-[(3R)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 124578570
[(2R,3S,4R)-4-benzylsulfanyl-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 15452493
2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 163010771
5-hydroxy-3,3,6,7,8-pentamethoxy-2-(4-methoxyphenyl)-2H-chromen-4-one
CID 68896024
3,5-dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 14707089
(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855

Frequently Asked Questions

What is the IUPAC name of (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol?
The IUPAC name of (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol (CID 101023171) is (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol.
What is the SMILES notation for (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol?
The canonical SMILES for (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol is COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)C=C2O)cc1.
What is the InChIKey of (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol?
The InChIKey is BYMUVIIJIZXGKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18O5/c1-20-13-7-4-11(5-8-13)16-14(19)10-12-6-9-15(21-2)18(22-3)17(12)23-16/h4-10,16,19H,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol?
(2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol has a molecular weight of 314.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol is sourced from PubChem (CID 101023171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).