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

C138H132O2S6 — CID 159647868

IUPAC2-[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
SMILESCC(C)Oc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CC(C)c1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CCOc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CCc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.Cc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.Cc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1
InChIInChI=1S/C24H24OS.C24H24S.C23H22OS.C23H22S.2C22H20S/c1-16(2)25-22-9-6-8-18(15-22)17(3)19-11-12-24-21(13-19)14-20-7-4-5-10-23(20)26-24;1-16(2)18-8-6-9-19(13-18)17(3)20-11-12-24-22(14-20)15-21-7-4-5-10-23(21)25-24;1-3-24-21-9-6-8-17(15-21)16(2)18-11-12-23-20(13-18)14-19-7-4-5-10-22(19)25-23;1-3-17-7-6-9-18(13-17)16(2)19-11-12-23-21(14-19)15-20-8-4-5-10-22(20)24-23;2*1-15-6-5-8-17(12-15)16(2)18-10-11-22-20(13-18)14-19-7-3-4-9-21(19)23-22/h4-13,15-17H,14H2,1-3H3;4-14,16-17H,15H2,1-3H3;4-13,15-16H,3,14H2,1-2H3;4-14,16H,3,15H2,1-2H3;2*3-13,16H,14H2,1-2H3
InChIKeyMREKHFYXRFZPQN-UHFFFAOYSA-N
MW2014.97 g/mol
LogP38.85
Rot. Bonds18

About 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

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 (PubChem CID 159647868) has the molecular formula C138H132O2S6 and a molecular weight of 2014.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159647868
Molecular FormulaC138H132O2S6
Molecular Weight2014.97 g/mol
Exact Mass2012.86
IUPAC Name2-[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
SMILESCC(C)Oc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CC(C)c1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CCOc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CCc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.Cc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.Cc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1
InChIInChI=1S/C24H24OS.C24H24S.C23H22OS.C23H22S.2C22H20S/c1-16(2)25-22-9-6-8-18(15-22)17(3)19-11-12-24-21(13-19)14-20-7-4-5-10-23(20)26-24;1-16(2)18-8-6-9-19(13-18)17(3)20-11-12-24-22(14-20)15-21-7-4-5-10-23(21)25-24;1-3-24-21-9-6-8-17(15-21)16(2)18-11-12-23-20(13-18)14-19-7-4-5-10-22(19)25-23;1-3-17-7-6-9-18(13-17)16(2)19-11-12-23-21(14-19)15-20-8-4-5-10-22(20)24-23;2*1-15-6-5-8-17(12-15)16(2)18-10-11-22-20(13-18)14-19-7-3-4-9-21(19)23-22/h4-13,15-17H,14H2,1-3H3;4-14,16-17H,15H2,1-3H3;4-13,15-16H,3,14H2,1-2H3;4-14,16H,3,15H2,1-2H3;2*3-13,16H,14H2,1-2H3
InChIKeyMREKHFYXRFZPQN-UHFFFAOYSA-N
XLogP38.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002014.97
LogP ≤ 538.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[1-(4-propan-2-yloxyphenyl)ethyl]-9H-thioxanthene
CID 158721452
2-[1-(4-ethylphenyl)ethyl]-9H-thioxanthene;pentakis(2-[1-(4-methylphenyl)ethyl]-9H-thioxanthene)
CID 162113114
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
1-ethyl-3-[(4-propan-2-ylphenyl)methoxy]benzene
CID 60644477
1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
CID 178169906
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
2-(9H-thioxanthen-2-yloxy)acetic acid
CID 174842344
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene
CID 173470355
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173320
1-[bis(4-methylphenoxy)methyl]-4-ethoxybenzene;1-[bis(4-methylphenoxy)methyl]-3-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-methoxybenzene;1-[bis(4-methylphenoxy)methyl]-4-propan-2-yloxybenzene
CID 157298589

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CC(C)c1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CCOc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.CCc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.Cc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.Cc1cccc(C(C)c2ccc3c(c2)Cc2ccccc2S3)c1.
What is the InChIKey of 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?
The InChIKey is MREKHFYXRFZPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24OS.C24H24S.C23H22OS.C23H22S.2C22H20S/c1-16(2)25-22-9-6-8-18(15-22)17(3)19-11-12-24-21(13-19)14-20-7-4-5-10-23(20)26-24;1-16(2)18-8-6-9-19(13-18)17(3)20-11-12-24-22(14-20)15-21-7-4-5-10-23(21)25-24;1-3-24-21-9-6-8-17(15-21)16(2)18-11-12-23-20(13-18)14-19-7-4-5-10-22(19)25-23;1-3-17-7-6-9-18(13-17)16(2)19-11-12-23-21(14-19)15-20-8-4-5-10-22(20)24-23;2*1-15-6-5-8-17(12-15)16(2)18-10-11-22-20(13-18)14-19-7-3-4-9-21(19)23-22/h4-13,15-17H,14H2,1-3H3;4-14,16-17H,15H2,1-3H3;4-13,15-16H,3,14H2,1-2H3;4-14,16H,3,15H2,1-2H3;2*3-13,16H,14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2014.97 g/mol, XLogP of 38.85, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159647868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).