(3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol

C19H22O5 — CID 6708683

IUPAC(3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC[C@@H](Cc1ccc(OC)c(OC)c1)[C@@H]2O
InChIInChI=1S/C19H22O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-7,9-10,13,19-20H,8,11H2,1-3H3/t13-,19+/m1/s1
InChIKeyKXFFLWDYUNIJNU-YJYMSZOUSA-N
MW330.38 g/mol
LogP3.00
Rot. Bonds5

About (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol

(3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 6708683) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID6708683
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC[C@@H](Cc1ccc(OC)c(OC)c1)[C@@H]2O
InChIInChI=1S/C19H22O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-7,9-10,13,19-20H,8,11H2,1-3H3/t13-,19+/m1/s1
InChIKeyKXFFLWDYUNIJNU-YJYMSZOUSA-N
XLogP3.00
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 6708683) is (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)OC[C@@H](Cc1ccc(OC)c(OC)c1)[C@@H]2O.
What is the InChIKey of (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KXFFLWDYUNIJNU-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H22O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-7,9-10,13,19-20H,8,11H2,1-3H3/t13-,19+/m1/s1.
What are the key properties of (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
(3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 330.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 6708683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).