(2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene

C21H26OS — CID 135035914

IUPAC(2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene
SMILESc1ccc(CSCC(OC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C21H26OS/c1-4-10-18(11-5-1)16-23-17-21(19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2
InChIKeyFTANHVYZAFBGFF-UHFFFAOYSA-N
MW326.51 g/mol
LogP6.01
Rot. Bonds7

About (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene

(2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene (PubChem CID 135035914) has the molecular formula C21H26OS and a molecular weight of 326.51 g/mol. Its IUPAC name is (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene.

Molecular Properties

Compound Name(2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene
PubChem CID135035914
Molecular FormulaC21H26OS
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name(2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene
SMILESc1ccc(CSCC(OC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C21H26OS/c1-4-10-18(11-5-1)16-23-17-21(19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2
InChIKeyFTANHVYZAFBGFF-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55017556
2-cyclohexyloxy-2-phenylacetonitrile
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2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
N-(2-cycloheptyloxypropyl)aniline
CID 55093129
cyclohexyl benzylsulfanylformate
CID 14740472
[cyclopentyloxy(methoxy)methyl]benzene
CID 54296518
2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine
CID 60665212
2-benzylsulfanyl-N-cyclohexylaniline
CID 67941937
3-cyclobutyloxybutylbenzene
CID 177473923
1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene?
The IUPAC name of (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene (CID 135035914) is (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene.
What is the SMILES notation for (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene?
The canonical SMILES for (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene is c1ccc(CSCC(OC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene?
The InChIKey is FTANHVYZAFBGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26OS/c1-4-10-18(11-5-1)16-23-17-21(19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2.
What are the key properties of (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene?
(2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene has a molecular weight of 326.51 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanyl-1-cyclohexyloxyethyl)benzene is sourced from PubChem (CID 135035914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).