methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene

C22H36OS — CID 144724148

IUPACmethanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCS.Cc1ccc(OCC2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H32O.CH4S/c1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;1-2/h5-6,13-14,16,18-20H,3-4,7-12,15H2,1-2H3;2H,1H3
InChIKeyPTHWHAOYNCQVKE-UHFFFAOYSA-N
MW348.60 g/mol
LogP6.55
Rot. Bonds4

About methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene

methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene (PubChem CID 144724148) has the molecular formula C22H36OS and a molecular weight of 348.60 g/mol. Its IUPAC name is methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Namemethanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
PubChem CID144724148
Molecular FormulaC22H36OS
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Namemethanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCS.Cc1ccc(OCC2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H32O.CH4S/c1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;1-2/h5-6,13-14,16,18-20H,3-4,7-12,15H2,1-2H3;2H,1H3
InChIKeyPTHWHAOYNCQVKE-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene
CID 59265557
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxyphenyl]benzene
CID 21359829
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
CID 91283745
1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene
CID 141151529
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789

Frequently Asked Questions

What is the IUPAC name of methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene?
The IUPAC name of methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene (CID 144724148) is methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene.
What is the SMILES notation for methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene?
The canonical SMILES for methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene is CS.Cc1ccc(OCC2CCC(C3CCC(C)CC3)CC2)cc1.
What is the InChIKey of methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene?
The InChIKey is PTHWHAOYNCQVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O.CH4S/c1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;1-2/h5-6,13-14,16,18-20H,3-4,7-12,15H2,1-2H3;2H,1H3.
What are the key properties of methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene?
methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene has a molecular weight of 348.60 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene is sourced from PubChem (CID 144724148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).