6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one

C18H17ClO2 — CID 23465685

IUPAC6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)C1Oc2ccc(Cl)cc2C(=O)C1c1ccccc1
InChIInChI=1S/C18H17ClO2/c1-11(2)18-16(12-6-4-3-5-7-12)17(20)14-10-13(19)8-9-15(14)21-18/h3-11,16,18H,1-2H3
InChIKeyYESXTOVQVGZYIX-UHFFFAOYSA-N
MW300.78 g/mol
LogP4.72
Rot. Bonds2

About 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one

6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one (PubChem CID 23465685) has the molecular formula C18H17ClO2 and a molecular weight of 300.78 g/mol. Its IUPAC name is 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one
PubChem CID23465685
Molecular FormulaC18H17ClO2
Molecular Weight300.78 g/mol
Exact Mass300.09
IUPAC Name6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCC(C)C1Oc2ccc(Cl)cc2C(=O)C1c1ccccc1
InChIInChI=1S/C18H17ClO2/c1-11(2)18-16(12-6-4-3-5-7-12)17(20)14-10-13(19)8-9-15(14)21-18/h3-11,16,18H,1-2H3
InChIKeyYESXTOVQVGZYIX-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.78
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one (CID 23465685) is 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one is CC(C)C1Oc2ccc(Cl)cc2C(=O)C1c1ccccc1.
What is the InChIKey of 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is YESXTOVQVGZYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-11(2)18-16(12-6-4-3-5-7-12)17(20)14-10-13(19)8-9-15(14)21-18/h3-11,16,18H,1-2H3.
What are the key properties of 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one?
6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 300.78 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-2-propan-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 23465685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).