(4-butylcyclohexyl)methoxysulfanylbenzene

C17H26OS — CID 19992943

IUPAC(4-butylcyclohexyl)methoxysulfanylbenzene
SMILESCCCCC1CCC(COSc2ccccc2)CC1
InChIInChI=1S/C17H26OS/c1-2-3-7-15-10-12-16(13-11-15)14-18-19-17-8-5-4-6-9-17/h4-6,8-9,15-16H,2-3,7,10-14H2,1H3
InChIKeyBZKZFQLGAMDTIB-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.71
Rot. Bonds7

About (4-butylcyclohexyl)methoxysulfanylbenzene

(4-butylcyclohexyl)methoxysulfanylbenzene (PubChem CID 19992943) has the molecular formula C17H26OS and a molecular weight of 278.46 g/mol. Its IUPAC name is (4-butylcyclohexyl)methoxysulfanylbenzene.

Molecular Properties

Compound Name(4-butylcyclohexyl)methoxysulfanylbenzene
PubChem CID19992943
Molecular FormulaC17H26OS
Molecular Weight278.46 g/mol
Exact Mass278.17
IUPAC Name(4-butylcyclohexyl)methoxysulfanylbenzene
SMILESCCCCC1CCC(COSc2ccccc2)CC1
InChIInChI=1S/C17H26OS/c1-2-3-7-15-10-12-16(13-11-15)14-18-19-17-8-5-4-6-9-17/h4-6,8-9,15-16H,2-3,7,10-14H2,1H3
InChIKeyBZKZFQLGAMDTIB-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.71
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

(4-pentylcyclohexyl)methoxysulfanylbenzene
CID 19993165
1-(4-pentylcyclohexyl)-4-(phenylsulfanyloxymethyl)benzene;pentahydrofluoride
CID 67939407
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
2-(4-butylcyclohexyl)ethynylsulfanylbenzene;pentahydrofluoride
CID 67939380
pentoxysulfanylbenzene
CID 10921472
[4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluorobutyl]sulfanylbenzene
CID 134879335
[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorobutyl]sulfanylbenzene
CID 134879724
[(4-butylcyclohexyl)-chloromethyl]benzene
CID 63429103
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
2-(4-heptylcyclohexyl)ethynylsulfanylbenzene;pentahydrofluoride
CID 67939357
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)methoxysulfanylbenzene?
The IUPAC name of (4-butylcyclohexyl)methoxysulfanylbenzene (CID 19992943) is (4-butylcyclohexyl)methoxysulfanylbenzene.
What is the SMILES notation for (4-butylcyclohexyl)methoxysulfanylbenzene?
The canonical SMILES for (4-butylcyclohexyl)methoxysulfanylbenzene is CCCCC1CCC(COSc2ccccc2)CC1.
What is the InChIKey of (4-butylcyclohexyl)methoxysulfanylbenzene?
The InChIKey is BZKZFQLGAMDTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OS/c1-2-3-7-15-10-12-16(13-11-15)14-18-19-17-8-5-4-6-9-17/h4-6,8-9,15-16H,2-3,7,10-14H2,1H3.
What are the key properties of (4-butylcyclohexyl)methoxysulfanylbenzene?
(4-butylcyclohexyl)methoxysulfanylbenzene has a molecular weight of 278.46 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)methoxysulfanylbenzene is sourced from PubChem (CID 19992943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).