(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol

C19H20OS — CID 101265605

IUPAC(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol
SMILESC=C(Sc1ccccc1)[C@H](C)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C19H20OS/c1-15(16(2)21-18-11-7-4-8-12-18)19(20)14-13-17-9-5-3-6-10-17/h3-15,19-20H,2H2,1H3/b14-13+/t15-,19+/m0/s1
InChIKeyINFBGCZPOCJBFJ-UHTSDLRISA-N
MW296.44 g/mol
LogP5.00
Rot. Bonds6

About (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol

(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol (PubChem CID 101265605) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol
PubChem CID101265605
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol
SMILESC=C(Sc1ccccc1)[C@H](C)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C19H20OS/c1-15(16(2)21-18-11-7-4-8-12-18)19(20)14-13-17-9-5-3-6-10-17/h3-15,19-20H,2H2,1H3/b14-13+/t15-,19+/m0/s1
InChIKeyINFBGCZPOCJBFJ-UHTSDLRISA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol with MolForge

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Related Compounds

(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
CID 15271770
(E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one
CID 12031058
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(1S,2S)-1-(4-chlorophenyl)-2-methyl-3-phenylsulfanylbut-3-en-1-ol
CID 101257190
(1S,2R)-1-cyclohexyl-2-methyl-3-phenylsulfanylbut-3-en-1-ol
CID 101265602
benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
CID 134904469
methyl (E,4R,5S)-5-hydroxy-4-methyl-3-oxo-7-phenylhept-6-enoate
CID 101199751
(E,3R,4S)-5,5-dimethoxy-4-methyl-1-phenylpent-1-en-3-ol
CID 102022397
(E,2R,5S,6S)-6-hydroxy-5-methyl-8-phenyl-2-tri(propan-2-yl)silyloxyoct-7-en-4-one
CID 101204238
(E,2S,5R)-6-hydroxy-5-methyl-8-phenyl-2-tri(propan-2-yl)silyloxyoct-7-en-4-one
CID 134931180
trimethyl(2-phenylethenyl)phosphanium
CID 69015838

Frequently Asked Questions

What is the IUPAC name of (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol?
The IUPAC name of (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol (CID 101265605) is (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol is C=C(Sc1ccccc1)[C@H](C)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol?
The InChIKey is INFBGCZPOCJBFJ-UHTSDLRISA-N. The full InChI is InChI=1S/C19H20OS/c1-15(16(2)21-18-11-7-4-8-12-18)19(20)14-13-17-9-5-3-6-10-17/h3-15,19-20H,2H2,1H3/b14-13+/t15-,19+/m0/s1.
What are the key properties of (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol?
(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol has a molecular weight of 296.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol is sourced from PubChem (CID 101265605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).