(2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol

C21H20O4 — CID 42605049

IUPAC(2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol
SMILESCOc1cccc2c([C@@H]3C[C@@H](C)Oc4cccc(O)c43)ccc(O)c12
InChIInChI=1S/C21H20O4/c1-12-11-15(21-16(22)6-4-8-19(21)25-12)13-9-10-17(23)20-14(13)5-3-7-18(20)24-2/h3-10,12,15,22-23H,11H2,1-2H3/t12-,15+/m1/s1
InChIKeyDKRYQWDVVHWFJF-DOMZBBRYSA-N
MW336.39 g/mol
LogP4.56
Rot. Bonds2

About (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol

(2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol (PubChem CID 42605049) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name(2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol
PubChem CID42605049
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name(2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol
SMILESCOc1cccc2c([C@@H]3C[C@@H](C)Oc4cccc(O)c43)ccc(O)c12
InChIInChI=1S/C21H20O4/c1-12-11-15(21-16(22)6-4-8-19(21)25-12)13-9-10-17(23)20-14(13)5-3-7-18(20)24-2/h3-10,12,15,22-23H,11H2,1-2H3/t12-,15+/m1/s1
InChIKeyDKRYQWDVVHWFJF-DOMZBBRYSA-N
XLogP4.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol (CID 42605049) is (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol is COc1cccc2c([C@@H]3C[C@@H](C)Oc4cccc(O)c43)ccc(O)c12.
What is the InChIKey of (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is DKRYQWDVVHWFJF-DOMZBBRYSA-N. The full InChI is InChI=1S/C21H20O4/c1-12-11-15(21-16(22)6-4-8-19(21)25-12)13-9-10-17(23)20-14(13)5-3-7-18(20)24-2/h3-10,12,15,22-23H,11H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol?
(2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 336.39 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 42605049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).