(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol

C17H17ClO2 — CID 104949200

IUPAC(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(c1ccccc1)C1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H17ClO2/c1-11(12-5-3-2-4-6-12)17-10-15(19)14-9-13(18)7-8-16(14)20-17/h2-9,11,15,17,19H,10H2,1H3/t11?,15-,17?/m1/s1
InChIKeyVUEPJDPMJOQIDH-GMQFJONSSA-N
MW288.77 g/mol
LogP4.33
Rot. Bonds2

About (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949200) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949200
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC(c1ccccc1)C1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H17ClO2/c1-11(12-5-3-2-4-6-12)17-10-15(19)14-9-13(18)7-8-16(14)20-17/h2-9,11,15,17,19H,10H2,1H3/t11?,15-,17?/m1/s1
InChIKeyVUEPJDPMJOQIDH-GMQFJONSSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.33
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-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol (CID 104949200) is (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol is CC(c1ccccc1)C1C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is VUEPJDPMJOQIDH-GMQFJONSSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11(12-5-3-2-4-6-12)17-10-15(19)14-9-13(18)7-8-16(14)20-17/h2-9,11,15,17,19H,10H2,1H3/t11?,15-,17?/m1/s1.
What are the key properties of (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 288.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).