(4-phenylcyclohexen-1-yl)sulfanylbenzene

C18H18S — CID 10945388

IUPAC(4-phenylcyclohexen-1-yl)sulfanylbenzene
SMILESC1=C(Sc2ccccc2)CCC(c2ccccc2)C1
InChIInChI=1S/C18H18S/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-10,13,16H,11-12,14H2
InChIKeyQDMQTWGVDJJKNN-UHFFFAOYSA-N
MW266.41 g/mol
LogP5.63
Rot. Bonds3

About (4-phenylcyclohexen-1-yl)sulfanylbenzene

(4-phenylcyclohexen-1-yl)sulfanylbenzene (PubChem CID 10945388) has the molecular formula C18H18S and a molecular weight of 266.41 g/mol. Its IUPAC name is (4-phenylcyclohexen-1-yl)sulfanylbenzene.

Molecular Properties

Compound Name(4-phenylcyclohexen-1-yl)sulfanylbenzene
PubChem CID10945388
Molecular FormulaC18H18S
Molecular Weight266.41 g/mol
Exact Mass266.11
IUPAC Name(4-phenylcyclohexen-1-yl)sulfanylbenzene
SMILESC1=C(Sc2ccccc2)CCC(c2ccccc2)C1
InChIInChI=1S/C18H18S/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-10,13,16H,11-12,14H2
InChIKeyQDMQTWGVDJJKNN-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4S)-4-phenylcyclohexen-1-yl]formamide
CID 86313094
(1E)-1-phenylsulfanylcyclopentadecene
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CID 144638417
[4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene
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CID 2163318
(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid
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3-[(4-phenylcyclohexen-1-yl)methyl]pentane-2,4-dione
CID 10563992
8-phenylsulfanyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 102040121
(4-phenylcyclohexen-1-yl) triphenylmethanesulfonate
CID 150220938
4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
CID 134256168
2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene
CID 122234023
8-(4-phenylcyclohexen-1-yl)-7-azabicyclo[4.2.0]octa-1,5-dien-7-amine
CID 90051248

Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclohexen-1-yl)sulfanylbenzene?
The IUPAC name of (4-phenylcyclohexen-1-yl)sulfanylbenzene (CID 10945388) is (4-phenylcyclohexen-1-yl)sulfanylbenzene.
What is the SMILES notation for (4-phenylcyclohexen-1-yl)sulfanylbenzene?
The canonical SMILES for (4-phenylcyclohexen-1-yl)sulfanylbenzene is C1=C(Sc2ccccc2)CCC(c2ccccc2)C1.
What is the InChIKey of (4-phenylcyclohexen-1-yl)sulfanylbenzene?
The InChIKey is QDMQTWGVDJJKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-10,13,16H,11-12,14H2.
What are the key properties of (4-phenylcyclohexen-1-yl)sulfanylbenzene?
(4-phenylcyclohexen-1-yl)sulfanylbenzene has a molecular weight of 266.41 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexen-1-yl)sulfanylbenzene is sourced from PubChem (CID 10945388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).