[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol

C20H18OS — CID 91537786

IUPAC[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol
SMILESCOc1ccc(-c2ccccc2)c(-c2ccc(CS)cc2)c1
InChIInChI=1S/C20H18OS/c1-21-18-11-12-19(16-5-3-2-4-6-16)20(13-18)17-9-7-15(14-22)8-10-17/h2-13,22H,14H2,1H3
InChIKeyGTZXEOUITXFBFN-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.46
Rot. Bonds4

About [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol

[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol (PubChem CID 91537786) has the molecular formula C20H18OS and a molecular weight of 306.43 g/mol. Its IUPAC name is [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol.

Molecular Properties

Compound Name[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol
PubChem CID91537786
Molecular FormulaC20H18OS
Molecular Weight306.43 g/mol
Exact Mass306.11
IUPAC Name[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol
SMILESCOc1ccc(-c2ccccc2)c(-c2ccc(CS)cc2)c1
InChIInChI=1S/C20H18OS/c1-21-18-11-12-19(16-5-3-2-4-6-16)20(13-18)17-9-7-15(14-22)8-10-17/h2-13,22H,14H2,1H3
InChIKeyGTZXEOUITXFBFN-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
ethane;(4-methoxyphenyl)methanethiol
CID 143963839
(5-methoxy-2-phenylphenyl)silane
CID 137328723
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene
CID 174433994
4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
(3-methoxyphenyl)methanethiol
CID 10749403
2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]
CID 121482268
4-methoxy-N,2-diphenylbenzamide
CID 156739257

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol?
The IUPAC name of [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol (CID 91537786) is [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol.
What is the SMILES notation for [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol?
The canonical SMILES for [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol is COc1ccc(-c2ccccc2)c(-c2ccc(CS)cc2)c1.
What is the InChIKey of [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol?
The InChIKey is GTZXEOUITXFBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS/c1-21-18-11-12-19(16-5-3-2-4-6-16)20(13-18)17-9-7-15(14-22)8-10-17/h2-13,22H,14H2,1H3.
What are the key properties of [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol?
[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol has a molecular weight of 306.43 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol is sourced from PubChem (CID 91537786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).