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

C16H21ClO2 — CID 104949265

IUPAC(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CCCCCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClO2/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16,18H,1-6,10H2/t14-,16?/m1/s1
InChIKeyXEYLJYYGUOYIAD-IURRXHLWSA-N
MW280.79 g/mol
LogP4.49
Rot. Bonds1

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

(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949265) has the molecular formula C16H21ClO2 and a molecular weight of 280.79 g/mol. Its IUPAC name is (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949265
Molecular FormulaC16H21ClO2
Molecular Weight280.79 g/mol
Exact Mass280.12
IUPAC Name(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CCCCCC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClO2/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16,18H,1-6,10H2/t14-,16?/m1/s1
InChIKeyXEYLJYYGUOYIAD-IURRXHLWSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol (CID 104949265) is (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(C2CCCCCC2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XEYLJYYGUOYIAD-IURRXHLWSA-N. The full InChI is InChI=1S/C16H21ClO2/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16,18H,1-6,10H2/t14-,16?/m1/s1.
What are the key properties of (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 280.79 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).