2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene

C24H24OS — CID 158721452

IUPAC2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene
SMILESCC(C)Oc1ccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)cc1
InChIInChI=1S/C24H24OS/c1-16(2)25-22-11-8-18(9-12-22)17(3)19-10-13-24-21(14-19)15-20-6-4-5-7-23(20)26-24/h4-14,16-17H,15H2,1-3H3
InChIKeyYQCSWCOKSADWTN-UHFFFAOYSA-N
MW360.52 g/mol
LogP6.68
Rot. Bonds4

About 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene

2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene (PubChem CID 158721452) has the molecular formula C24H24OS and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene
PubChem CID158721452
Molecular FormulaC24H24OS
Molecular Weight360.52 g/mol
Exact Mass360.15
IUPAC Name2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene
SMILESCC(C)Oc1ccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)cc1
InChIInChI=1S/C24H24OS/c1-16(2)25-22-11-8-18(9-12-22)17(3)19-10-13-24-21(14-19)15-20-6-4-5-7-23(20)26-24/h4-14,16-17H,15H2,1-3H3
InChIKeyYQCSWCOKSADWTN-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-ethylphenyl)ethyl]-9H-thioxanthene;pentakis(2-[1-(4-methylphenyl)ethyl]-9H-thioxanthene)
CID 162113114
2-[1-(3-ethoxyphenyl)ethyl]-9H-thioxanthene;2-[1-(3-ethylphenyl)ethyl]-9H-thioxanthene;bis(2-[1-(3-methylphenyl)ethyl]-9H-thioxanthene);2-[1-(3-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene;2-[1-(3-propan-2-ylphenyl)ethyl]-9H-thioxanthene
CID 159647868
copper;9H-thioxanthene
CID 174315063
2-(9H-thioxanthen-2-yloxy)acetic acid
CID 174842344
diphenyl(9H-thioxanthen-2-yl)sulfanium
CID 150245404
dioxotitanium;9H-thioxanthene
CID 174580063
1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63441254
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
2-(7-chloro-9H-thioxanthen-2-yl)propanenitrile
CID 152755927
2-methoxy-6H-benzo[b][1]benzothiepin-5-one
CID 13154001
(3,4-dichlorophenyl)boronic acid;2-[1-(3,4-dichlorophenyl)ethyl]-9H-thioxanthene;N-[(4-methylphenyl)sulfonylmethyl]-1-(9H-thioxanthen-2-yl)ethanimine
CID 159031555
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene?
The IUPAC name of 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene (CID 158721452) is 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene.
What is the SMILES notation for 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene?
The canonical SMILES for 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene is CC(C)Oc1ccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)cc1.
What is the InChIKey of 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene?
The InChIKey is YQCSWCOKSADWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24OS/c1-16(2)25-22-11-8-18(9-12-22)17(3)19-10-13-24-21(14-19)15-20-6-4-5-7-23(20)26-24/h4-14,16-17H,15H2,1-3H3.
What are the key properties of 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene?
2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene has a molecular weight of 360.52 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene is sourced from PubChem (CID 158721452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).