3,4-diphenylphenol;sulfane

C18H16OS — CID 172728711

IUPAC3,4-diphenylphenol;sulfane
SMILESOc1ccc(-c2ccccc2)c(-c2ccccc2)c1.S
InChIInChI=1S/C18H14O.H2S/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15;/h1-13,19H;1H2
InChIKeyHMQKVYIAXRFQEG-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.84
Rot. Bonds2

About 3,4-diphenylphenol;sulfane

3,4-diphenylphenol;sulfane (PubChem CID 172728711) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 3,4-diphenylphenol;sulfane.

Molecular Properties

Compound Name3,4-diphenylphenol;sulfane
PubChem CID172728711
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name3,4-diphenylphenol;sulfane
SMILESOc1ccc(-c2ccccc2)c(-c2ccccc2)c1.S
InChIInChI=1S/C18H14O.H2S/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15;/h1-13,19H;1H2
InChIKeyHMQKVYIAXRFQEG-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-3-thiophen-3-ylphenol
CID 141017100
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
4-phenyl-3-silylphenol
CID 137329798
3-(4-ethylsulfonylphenyl)-4-phenylphenol
CID 67689499
2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
CID 69497360
4-(4-nitroso-2-phenylphenyl)phenol
CID 174650570
4-hydroxy-2-phenylbenzonitrile
CID 66882443
4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
CID 175428259
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
1,2,4-triphenylbenzene
CID 518325

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenylphenol;sulfane?
The IUPAC name of 3,4-diphenylphenol;sulfane (CID 172728711) is 3,4-diphenylphenol;sulfane.
What is the SMILES notation for 3,4-diphenylphenol;sulfane?
The canonical SMILES for 3,4-diphenylphenol;sulfane is Oc1ccc(-c2ccccc2)c(-c2ccccc2)c1.S.
What is the InChIKey of 3,4-diphenylphenol;sulfane?
The InChIKey is HMQKVYIAXRFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O.H2S/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15;/h1-13,19H;1H2.
What are the key properties of 3,4-diphenylphenol;sulfane?
3,4-diphenylphenol;sulfane has a molecular weight of 280.39 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenylphenol;sulfane is sourced from PubChem (CID 172728711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).