6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol

C24H32OS — CID 59109976

IUPAC6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol
SMILESCc1ccc(C2(C)CSc3cc(C)ccc3C2CCCCCCO)cc1
InChIInChI=1S/C24H32OS/c1-18-9-12-20(13-10-18)24(3)17-26-23-16-19(2)11-14-21(23)22(24)8-6-4-5-7-15-25/h9-14,16,22,25H,4-8,15,17H2,1-3H3
InChIKeyAARGPMPITAHROS-UHFFFAOYSA-N
MW368.59 g/mol
LogP6.39
Rot. Bonds7

About 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol

6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol (PubChem CID 59109976) has the molecular formula C24H32OS and a molecular weight of 368.59 g/mol. Its IUPAC name is 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol
PubChem CID59109976
Molecular FormulaC24H32OS
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol
SMILESCc1ccc(C2(C)CSc3cc(C)ccc3C2CCCCCCO)cc1
InChIInChI=1S/C24H32OS/c1-18-9-12-20(13-10-18)24(3)17-26-23-16-19(2)11-14-21(23)22(24)8-6-4-5-7-15-25/h9-14,16,22,25H,4-8,15,17H2,1-3H3
InChIKeyAARGPMPITAHROS-UHFFFAOYSA-N
XLogP6.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol?
The IUPAC name of 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol (CID 59109976) is 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol.
What is the SMILES notation for 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol?
The canonical SMILES for 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol is Cc1ccc(C2(C)CSc3cc(C)ccc3C2CCCCCCO)cc1.
What is the InChIKey of 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol?
The InChIKey is AARGPMPITAHROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32OS/c1-18-9-12-20(13-10-18)24(3)17-26-23-16-19(2)11-14-21(23)22(24)8-6-4-5-7-15-25/h9-14,16,22,25H,4-8,15,17H2,1-3H3.
What are the key properties of 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol?
6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol has a molecular weight of 368.59 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,7-dimethyl-3-(4-methylphenyl)-2,4-dihydrothiochromen-4-yl]hexan-1-ol is sourced from PubChem (CID 59109976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).