(1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol

C26H26O2S2 — CID 10694148

IUPAC(1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol
SMILESCCc1ccc([C@](O)(c2ccccc2)[C@](O)(c2ccccc2)c2ccc(CC)s2)s1
InChIInChI=1S/C26H26O2S2/c1-3-21-15-17-23(29-21)25(27,19-11-7-5-8-12-19)26(28,20-13-9-6-10-14-20)24-18-16-22(4-2)30-24/h5-18,27-28H,3-4H2,1-2H3/t25-,26+
InChIKeyCDVUUELMDLJYLO-WMPKNSHKSA-N
MW434.63 g/mol
LogP6.11
Rot. Bonds7

About (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol

(1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol (PubChem CID 10694148) has the molecular formula C26H26O2S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol
PubChem CID10694148
Molecular FormulaC26H26O2S2
Molecular Weight434.63 g/mol
Exact Mass434.14
IUPAC Name(1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol
SMILESCCc1ccc([C@](O)(c2ccccc2)[C@](O)(c2ccccc2)c2ccc(CC)s2)s1
InChIInChI=1S/C26H26O2S2/c1-3-21-15-17-23(29-21)25(27,19-11-7-5-8-12-19)26(28,20-13-9-6-10-14-20)24-18-16-22(4-2)30-24/h5-18,27-28H,3-4H2,1-2H3/t25-,26+
InChIKeyCDVUUELMDLJYLO-WMPKNSHKSA-N
XLogP6.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 116696332
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CID 103465604
2,5-diethylthiophene
CID 521294
5-ethyl-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 110664046
3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
CID 63417545
4-amino-3-(5-ethylthiophen-2-yl)-3,4-dimethylpentan-1-ol
CID 66089117
6-(5-ethylthiophen-2-yl)-6,6-difluorohexanoic acid
CID 43447024
2-[(5-tert-butylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 115742081
2-benzhydryl-5-ethylthiophene
CID 177490577
1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
CID 103465512
1,1,2,3,3,3-hexakis-phenylpropane-1,2-diol
CID 160640649
1,1-diphenylpropane-1,2,2,3-tetrol
CID 54396902

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol?
The IUPAC name of (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol (CID 10694148) is (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol.
What is the SMILES notation for (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol?
The canonical SMILES for (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol is CCc1ccc([C@](O)(c2ccccc2)[C@](O)(c2ccccc2)c2ccc(CC)s2)s1.
What is the InChIKey of (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol?
The InChIKey is CDVUUELMDLJYLO-WMPKNSHKSA-N. The full InChI is InChI=1S/C26H26O2S2/c1-3-21-15-17-23(29-21)25(27,19-11-7-5-8-12-19)26(28,20-13-9-6-10-14-20)24-18-16-22(4-2)30-24/h5-18,27-28H,3-4H2,1-2H3/t25-,26+.
What are the key properties of (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol?
(1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol has a molecular weight of 434.63 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-bis(5-ethylthiophen-2-yl)-1,2-diphenylethane-1,2-diol is sourced from PubChem (CID 10694148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).