(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol

C15H20O4 — CID 104948605

IUPAC(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(C1CCCOC1)C[C@H]2O
InChIInChI=1S/C15H20O4/c1-17-11-4-5-12-13(16)8-14(19-15(12)7-11)10-3-2-6-18-9-10/h4-5,7,10,13-14,16H,2-3,6,8-9H2,1H3/t10?,13-,14?/m1/s1
InChIKeyOKNJWCQWPYPNQN-IWXRYERYSA-N
MW264.32 g/mol
LogP2.31
Rot. Bonds2

About (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948605) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948605
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(C1CCCOC1)C[C@H]2O
InChIInChI=1S/C15H20O4/c1-17-11-4-5-12-13(16)8-14(19-15(12)7-11)10-3-2-6-18-9-10/h4-5,7,10,13-14,16H,2-3,6,8-9H2,1H3/t10?,13-,14?/m1/s1
InChIKeyOKNJWCQWPYPNQN-IWXRYERYSA-N
XLogP2.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104948605) is (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)OC(C1CCCOC1)C[C@H]2O.
What is the InChIKey of (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is OKNJWCQWPYPNQN-IWXRYERYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-11-4-5-12-13(16)8-14(19-15(12)7-11)10-3-2-6-18-9-10/h4-5,7,10,13-14,16H,2-3,6,8-9H2,1H3/t10?,13-,14?/m1/s1.
What are the key properties of (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 264.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).