4-[(4-phenylsulfanylphenyl)methyl]phenol

C19H16OS — CID 175400432

IUPAC4-[(4-phenylsulfanylphenyl)methyl]phenol
SMILESOc1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/C19H16OS/c20-17-10-6-15(7-11-17)14-16-8-12-19(13-9-16)21-18-4-2-1-3-5-18/h1-13,20H,14H2
InChIKeyGHJWOEMFCSFXQG-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.13
Rot. Bonds4

About 4-[(4-phenylsulfanylphenyl)methyl]phenol

4-[(4-phenylsulfanylphenyl)methyl]phenol (PubChem CID 175400432) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[(4-phenylsulfanylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-phenylsulfanylphenyl)methyl]phenol
PubChem CID175400432
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name4-[(4-phenylsulfanylphenyl)methyl]phenol
SMILESOc1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/C19H16OS/c20-17-10-6-15(7-11-17)14-16-8-12-19(13-9-16)21-18-4-2-1-3-5-18/h1-13,20H,14H2
InChIKeyGHJWOEMFCSFXQG-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 131886054
CID 131886054
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
1-benzyl-4-(4-phenylphenyl)sulfanylbenzene
CID 59163536
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[(4-diphenylphosphanylphenyl)methyl]phenol
CID 141151441
1-(methoxymethyl)-4-phenylsulfanylbenzene
CID 174608576
1-benzyl-3-(3-benzylphenyl)sulfanylbenzene
CID 141375916
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
1-(2-bromoethyl)-4-phenylsulfanylbenzene
CID 174361332
1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene
CID 143570117
CID 66690055
CID 66690055
1-benzyl-4-methylsulfanylbenzene
CID 23524923

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylsulfanylphenyl)methyl]phenol?
The IUPAC name of 4-[(4-phenylsulfanylphenyl)methyl]phenol (CID 175400432) is 4-[(4-phenylsulfanylphenyl)methyl]phenol.
What is the SMILES notation for 4-[(4-phenylsulfanylphenyl)methyl]phenol?
The canonical SMILES for 4-[(4-phenylsulfanylphenyl)methyl]phenol is Oc1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-phenylsulfanylphenyl)methyl]phenol?
The InChIKey is GHJWOEMFCSFXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c20-17-10-6-15(7-11-17)14-16-8-12-19(13-9-16)21-18-4-2-1-3-5-18/h1-13,20H,14H2.
What are the key properties of 4-[(4-phenylsulfanylphenyl)methyl]phenol?
4-[(4-phenylsulfanylphenyl)methyl]phenol has a molecular weight of 292.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylsulfanylphenyl)methyl]phenol is sourced from PubChem (CID 175400432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).