6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one

C23H22O3S — CID 126757592

IUPAC6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one
SMILESCOc1ccc(C)cc1C1=C2C=CC(=O)C=C2S(C)(C)c2cc(O)ccc21
InChIInChI=1S/C23H22O3S/c1-14-5-10-20(26-2)19(11-14)23-17-8-6-15(24)12-21(17)27(3,4)22-13-16(25)7-9-18(22)23/h5-13,24H,1-4H3
InChIKeyREEKHXCGIREKIG-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.97
Rot. Bonds2

About 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one

6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one (PubChem CID 126757592) has the molecular formula C23H22O3S and a molecular weight of 378.49 g/mol. Its IUPAC name is 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one.

Molecular Properties

Compound Name6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one
PubChem CID126757592
Molecular FormulaC23H22O3S
Molecular Weight378.49 g/mol
Exact Mass378.13
IUPAC Name6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one
SMILESCOc1ccc(C)cc1C1=C2C=CC(=O)C=C2S(C)(C)c2cc(O)ccc21
InChIInChI=1S/C23H22O3S/c1-14-5-10-20(26-2)19(11-14)23-17-8-6-15(24)12-21(17)27(3,4)22-13-16(25)7-9-18(22)23/h5-13,24H,1-4H3
InChIKeyREEKHXCGIREKIG-UHFFFAOYSA-N
XLogP4.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83956118
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate
CID 142675706
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
1-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
(2-methoxy-5-methylphenyl)boronic acid
CID 2773485
1-(2-methoxy-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 43090977

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one?
The IUPAC name of 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one (CID 126757592) is 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one.
What is the SMILES notation for 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one?
The canonical SMILES for 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one is COc1ccc(C)cc1C1=C2C=CC(=O)C=C2S(C)(C)c2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one?
The InChIKey is REEKHXCGIREKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3S/c1-14-5-10-20(26-2)19(11-14)23-17-8-6-15(24)12-21(17)27(3,4)22-13-16(25)7-9-18(22)23/h5-13,24H,1-4H3.
What are the key properties of 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one?
6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one has a molecular weight of 378.49 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-(2-methoxy-5-methylphenyl)-10,10-dimethylthioxanthen-3-one is sourced from PubChem (CID 126757592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).