[cyclohexyl(methylsulfanyloxy)methyl]benzene

C14H20OS — CID 146296998

IUPAC[cyclohexyl(methylsulfanyloxy)methyl]benzene
SMILESCSOC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H20OS/c1-16-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3
InChIKeyLTPDANSEKNUMBJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.60
Rot. Bonds4

About [cyclohexyl(methylsulfanyloxy)methyl]benzene

[cyclohexyl(methylsulfanyloxy)methyl]benzene (PubChem CID 146296998) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is [cyclohexyl(methylsulfanyloxy)methyl]benzene.

Molecular Properties

Compound Name[cyclohexyl(methylsulfanyloxy)methyl]benzene
PubChem CID146296998
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name[cyclohexyl(methylsulfanyloxy)methyl]benzene
SMILESCSOC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H20OS/c1-16-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3
InChIKeyLTPDANSEKNUMBJ-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexyl(propoxy)methyl]benzene
CID 155279791
[cyclohexyl(cyclopropylmethoxy)methyl]benzene
CID 145412407
2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine
CID 24847310
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl(phenyl)methanamine
CID 11064121
4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one
CID 11773029
O-[cyclopropyl(phenyl)methyl]hydroxylamine;hydrochloride
CID 127038891
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(methylsulfanyloxy)methyl]benzene?
The IUPAC name of [cyclohexyl(methylsulfanyloxy)methyl]benzene (CID 146296998) is [cyclohexyl(methylsulfanyloxy)methyl]benzene.
What is the SMILES notation for [cyclohexyl(methylsulfanyloxy)methyl]benzene?
The canonical SMILES for [cyclohexyl(methylsulfanyloxy)methyl]benzene is CSOC(c1ccccc1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(methylsulfanyloxy)methyl]benzene?
The InChIKey is LTPDANSEKNUMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-16-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3.
What are the key properties of [cyclohexyl(methylsulfanyloxy)methyl]benzene?
[cyclohexyl(methylsulfanyloxy)methyl]benzene has a molecular weight of 236.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(methylsulfanyloxy)methyl]benzene is sourced from PubChem (CID 146296998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).