(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol

C14H17ClO3 — CID 104949234

IUPAC(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CCOCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H17ClO3/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14,16H,3-6,8H2/t12-,14?/m1/s1
InChIKeyPXLDTNSWOSSGJF-PUODRLBUSA-N
MW268.74 g/mol
LogP2.95
Rot. Bonds1

About (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949234) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949234
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CCOCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H17ClO3/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14,16H,3-6,8H2/t12-,14?/m1/s1
InChIKeyPXLDTNSWOSSGJF-PUODRLBUSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104949234) is (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(C2CCOCC2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PXLDTNSWOSSGJF-PUODRLBUSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14,16H,3-6,8H2/t12-,14?/m1/s1.
What are the key properties of (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 268.74 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).