2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol

C15H18OS2 — CID 15305231

IUPAC2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol
SMILESOC1(c2ccccc2)CCCC1=C1SCCCS1
InChIInChI=1S/C15H18OS2/c16-15(12-6-2-1-3-7-12)9-4-8-13(15)14-17-10-5-11-18-14/h1-3,6-7,16H,4-5,8-11H2
InChIKeyYNSQQMDOIIHTJY-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.14
Rot. Bonds1

About 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol

2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol (PubChem CID 15305231) has the molecular formula C15H18OS2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol
PubChem CID15305231
Molecular FormulaC15H18OS2
Molecular Weight278.44 g/mol
Exact Mass278.08
IUPAC Name2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol
SMILESOC1(c2ccccc2)CCCC1=C1SCCCS1
InChIInChI=1S/C15H18OS2/c16-15(12-6-2-1-3-7-12)9-4-8-13(15)14-17-10-5-11-18-14/h1-3,6-7,16H,4-5,8-11H2
InChIKeyYNSQQMDOIIHTJY-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
2-methoxy-3-methyl-1-phenylcyclohex-2-en-1-ol
CID 135032106
8-phenyl-6,7-dihydro-5H-quinazolin-8-ol
CID 151829551
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
(4-hydroxy-4-phenyl-2,3,5,6,7,8-hexahydroquinolin-1-yl)-phenylmethanone
CID 20980758
(3R)-3-phenylthian-3-ol
CID 124510207
azane;1-phenylcyclobutan-1-ol
CID 175547532
(2S,3R)-7-(1,3-dithian-2-ylidene)-2-phenylspiro[2.5]octan-8-one
CID 2470449
(2S,3S)-7-(1,3-dithian-2-ylidene)-2-phenylspiro[2.5]octan-8-one
CID 2470453
(2S)-2-hydroxy-2-naphthalen-2-ylcyclopentan-1-one
CID 102347696
copper;1-phenylcyclohexan-1-ol
CID 174727157

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol?
The IUPAC name of 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol (CID 15305231) is 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol.
What is the SMILES notation for 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol?
The canonical SMILES for 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol is OC1(c2ccccc2)CCCC1=C1SCCCS1.
What is the InChIKey of 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol?
The InChIKey is YNSQQMDOIIHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS2/c16-15(12-6-2-1-3-7-12)9-4-8-13(15)14-17-10-5-11-18-14/h1-3,6-7,16H,4-5,8-11H2.
What are the key properties of 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol?
2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol is sourced from PubChem (CID 15305231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).