(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol

C17H18OS — CID 14787941

IUPAC(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
SMILESC=CC[C@@H](O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OS/c1-2-9-16(18)17(14-10-5-3-6-11-14)19-15-12-7-4-8-13-15/h2-8,10-13,16-18H,1,9H2/t16-,17-/m1/s1
InChIKeyFVTVOKOEBUCNQQ-IAGOWNOFSA-N
MW270.40 g/mol
LogP4.46
Rot. Bonds6

About (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol

(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol (PubChem CID 14787941) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
PubChem CID14787941
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
SMILESC=CC[C@@H](O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OS/c1-2-9-16(18)17(14-10-5-3-6-11-14)19-15-12-7-4-8-13-15/h2-8,10-13,16-18H,1,9H2/t16-,17-/m1/s1
InChIKeyFVTVOKOEBUCNQQ-IAGOWNOFSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol
CID 14787942
(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
CID 10679903
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
CID 46210919
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
CID 11550833
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
[(5E)-hepta-1,5-dien-4-yl]sulfanylbenzene
CID 10632029
(1S,2S)-1,2-bis(4-bromophenyl)-2-phenylsulfanylethanol
CID 135006163
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
4-phenylsulfanylhept-6-en-2-one
CID 13093427
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol?
The IUPAC name of (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol (CID 14787941) is (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol.
What is the SMILES notation for (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol?
The canonical SMILES for (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol is C=CC[C@@H](O)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol?
The InChIKey is FVTVOKOEBUCNQQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18OS/c1-2-9-16(18)17(14-10-5-3-6-11-14)19-15-12-7-4-8-13-15/h2-8,10-13,16-18H,1,9H2/t16-,17-/m1/s1.
What are the key properties of (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol?
(1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol has a molecular weight of 270.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-phenyl-1-phenylsulfanylpent-4-en-2-ol is sourced from PubChem (CID 14787941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).