(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one

C16H13ClO2 — CID 95861308

IUPAC(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(cc1Cl)C(=O)[C@H](c1ccccc1)CO2
InChIInChI=1S/C16H13ClO2/c1-10-7-15-12(8-14(10)17)16(18)13(9-19-15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3/t13-/m0/s1
InChIKeyXQJPEEYCEKLSMZ-ZDUSSCGKSA-N
MW272.73 g/mol
LogP4.01
Rot. Bonds1

About (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one

(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one (PubChem CID 95861308) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
PubChem CID95861308
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(cc1Cl)C(=O)[C@H](c1ccccc1)CO2
InChIInChI=1S/C16H13ClO2/c1-10-7-15-12(8-14(10)17)16(18)13(9-19-15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3/t13-/m0/s1
InChIKeyXQJPEEYCEKLSMZ-ZDUSSCGKSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
CID 59356086
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
(3R)-4,6-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine
CID 124637234
CID 169424704
CID 169424704
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane
CID 142024864
7-methyl-3-phenyl-2,3-dihydro-1-benzofuran
CID 15691552
(3R)-3-bromo-6,7-dichloro-2,3-dihydrochromen-4-one
CID 86339676
3-amino-6,7-dimethyl-2,3-dihydrochromen-4-one
CID 82603967
7-(1,3-dimethylazepan-4-yl)oxy-3-phenyl-2,3-dihydrochromen-4-one
CID 21287332

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one (CID 95861308) is (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one is Cc1cc2c(cc1Cl)C(=O)[C@H](c1ccccc1)CO2.
What is the InChIKey of (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is XQJPEEYCEKLSMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-7-15-12(8-14(10)17)16(18)13(9-19-15)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3/t13-/m0/s1.
What are the key properties of (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one?
(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 272.73 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 95861308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).