(2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one

C16H14O2S — CID 102315074

IUPAC(2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc([C@H]2CC(=O)c3ccccc3S2)cc1
InChIInChI=1S/C16H14O2S/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3/t16-/m1/s1
InChIKeyACMKRVIBDUVRPR-MRXNPFEDSA-N
MW270.35 g/mol
LogP4.11
Rot. Bonds2

About (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one

(2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one (PubChem CID 102315074) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one
PubChem CID102315074
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name(2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc([C@H]2CC(=O)c3ccccc3S2)cc1
InChIInChI=1S/C16H14O2S/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3/t16-/m1/s1
InChIKeyACMKRVIBDUVRPR-MRXNPFEDSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-anilino-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydrothiopyran-4-one
CID 2768640
(2R,3S,3'R)-3'-(4-methoxyphenyl)-2-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 101193555
2-(4-methoxyphenyl)-5-propyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 4145870
methyl 4-oxo-2,3-dihydrothiochromene-2-carboxylate
CID 131582271
(2S)-2-(4-methoxyphenyl)-4-pyridin-4-yl-2,3-dihydro-1,5-benzothiazepine
CID 726473
(2S)-2-(4-methoxyphenyl)-5-phenacyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 40504768
6-hydroxy-5-[(2R)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 136749526
(2S,2aS,8aR)-2-(4-methoxyphenyl)-1,2,2a,8a-tetrahydrocyclobuta[b]naphthalene-3,8-dione
CID 102247086
4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
CID 14225908
N-(4-ethylphenyl)-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 28874910
N-(4-ethylphenyl)-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 28874909
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 27443210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one (CID 102315074) is (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one is COc1ccc([C@H]2CC(=O)c3ccccc3S2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one?
The InChIKey is ACMKRVIBDUVRPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14O2S/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one?
(2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one has a molecular weight of 270.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 102315074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).