[(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene

C14H18OS — CID 134931452

IUPAC[(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene
SMILESCO[C@H]1C=CC[C@@H](CSc2ccccc2)C1
InChIInChI=1S/C14H18OS/c1-15-13-7-5-6-12(10-13)11-16-14-8-3-2-4-9-14/h2-5,7-9,12-13H,6,10-11H2,1H3/t12-,13+/m1/s1
InChIKeyDVSSRZYNUCOLBE-OLZOCXBDSA-N
MW234.36 g/mol
LogP3.76
Rot. Bonds4

About [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene

[(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene (PubChem CID 134931452) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene.

Molecular Properties

Compound Name[(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene
PubChem CID134931452
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name[(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene
SMILESCO[C@H]1C=CC[C@@H](CSc2ccccc2)C1
InChIInChI=1S/C14H18OS/c1-15-13-7-5-6-12(10-13)11-16-14-8-3-2-4-9-14/h2-5,7-9,12-13H,6,10-11H2,1H3/t12-,13+/m1/s1
InChIKeyDVSSRZYNUCOLBE-OLZOCXBDSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
[(E)-4-methoxybut-2-enyl]sulfanylbenzene
CID 177930234
4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361777
2,2-Dimethyl-5-(phenylthio)tetrahydrofuran
CID 361780
2-Fluoro-4-methoxy-5,6-dimethyl-3-phenylsulfanyloxane
CID 18729283
[4-(Trifluoromethoxy)cyclohexyl]methylsulfanylbenzene
CID 140478153
[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene
CID 10356327
[(3S,6S)-3-methoxy-6-methylcyclohexen-1-yl]sulfonylbenzene
CID 11777707
(4S,6S)-2-(benzenesulfonyl)-4,6-dimethyloxane
CID 10753455
(1S,4R,5S)-2-(benzenesulfonyl)-5-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 10988709
(2S,3R)-2-methyl-2-(4-methylpent-3-enyl)-3-(phenylsulfanylmethyl)oxirane
CID 11118886

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene?
The IUPAC name of [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene (CID 134931452) is [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene.
What is the SMILES notation for [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene?
The canonical SMILES for [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene is CO[C@H]1C=CC[C@@H](CSc2ccccc2)C1.
What is the InChIKey of [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene?
The InChIKey is DVSSRZYNUCOLBE-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18OS/c1-15-13-7-5-6-12(10-13)11-16-14-8-3-2-4-9-14/h2-5,7-9,12-13H,6,10-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene?
[(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene has a molecular weight of 234.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-5-methoxycyclohex-3-en-1-yl]methylsulfanylbenzene is sourced from PubChem (CID 134931452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).