(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol

C19H22O7 — CID 44567055

IUPAC(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol
SMILESCOc1ccc2c(c1O)O[C@H](c1cc(OC)c(OC)c(OC)c1O)CC2
InChIInChI=1S/C19H22O7/c1-22-13-8-6-10-5-7-12(26-17(10)16(13)21)11-9-14(23-2)18(24-3)19(25-4)15(11)20/h6,8-9,12,20-21H,5,7H2,1-4H3/t12-/m0/s1
InChIKeyXVWADHIDSZCAFC-LBPRGKRZSA-N
MW362.38 g/mol
LogP3.20
Rot. Bonds5

About (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol

(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol (PubChem CID 44567055) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol
PubChem CID44567055
Molecular FormulaC19H22O7
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol
SMILESCOc1ccc2c(c1O)O[C@H](c1cc(OC)c(OC)c(OC)c1O)CC2
InChIInChI=1S/C19H22O7/c1-22-13-8-6-10-5-7-12(26-17(10)16(13)21)11-9-14(23-2)18(24-3)19(25-4)15(11)20/h6,8-9,12,20-21H,5,7H2,1-4H3/t12-/m0/s1
InChIKeyXVWADHIDSZCAFC-LBPRGKRZSA-N
XLogP3.20
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol (CID 44567055) is (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol is COc1ccc2c(c1O)O[C@H](c1cc(OC)c(OC)c(OC)c1O)CC2.
What is the InChIKey of (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is XVWADHIDSZCAFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22O7/c1-22-13-8-6-10-5-7-12(26-17(10)16(13)21)11-9-14(23-2)18(24-3)19(25-4)15(11)20/h6,8-9,12,20-21H,5,7H2,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol?
(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 362.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 44567055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).