4-(3-propan-2-yloxyphenyl)benzenethiol

C15H16OS — CID 91656133

IUPAC4-(3-propan-2-yloxyphenyl)benzenethiol
SMILESCC(C)Oc1cccc(-c2ccc(S)cc2)c1
InChIInChI=1S/C15H16OS/c1-11(2)16-14-5-3-4-13(10-14)12-6-8-15(17)9-7-12/h3-11,17H,1-2H3
InChIKeyCNABREONCRQUDL-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.43
Rot. Bonds3

About 4-(3-propan-2-yloxyphenyl)benzenethiol

4-(3-propan-2-yloxyphenyl)benzenethiol (PubChem CID 91656133) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(3-propan-2-yloxyphenyl)benzenethiol.

Molecular Properties

Compound Name4-(3-propan-2-yloxyphenyl)benzenethiol
PubChem CID91656133
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name4-(3-propan-2-yloxyphenyl)benzenethiol
SMILESCC(C)Oc1cccc(-c2ccc(S)cc2)c1
InChIInChI=1S/C15H16OS/c1-11(2)16-14-5-3-4-13(10-14)12-6-8-15(17)9-7-12/h3-11,17H,1-2H3
InChIKeyCNABREONCRQUDL-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.43
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-fluoro-4-(3-propan-2-yloxyphenyl)phenol
CID 83130174
N-[(1S)-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126448959
3-methyl-5-(3-propan-2-yloxyphenyl)aniline
CID 107579616
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
1-(3-phenylphenoxy)propane-1,2-diol
CID 141410322
2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine
CID 164607154
2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
CID 56719109
1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
CID 172649649
5-fluoro-2-(3-propan-2-yloxyphenyl)phenol
CID 83130979
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347
2-hydroxy-2-[2-[4-(3-propan-2-yloxyphenyl)phenyl]ethyl]butanedioic acid
CID 177382807

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yloxyphenyl)benzenethiol?
The IUPAC name of 4-(3-propan-2-yloxyphenyl)benzenethiol (CID 91656133) is 4-(3-propan-2-yloxyphenyl)benzenethiol.
What is the SMILES notation for 4-(3-propan-2-yloxyphenyl)benzenethiol?
The canonical SMILES for 4-(3-propan-2-yloxyphenyl)benzenethiol is CC(C)Oc1cccc(-c2ccc(S)cc2)c1.
What is the InChIKey of 4-(3-propan-2-yloxyphenyl)benzenethiol?
The InChIKey is CNABREONCRQUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11(2)16-14-5-3-4-13(10-14)12-6-8-15(17)9-7-12/h3-11,17H,1-2H3.
What are the key properties of 4-(3-propan-2-yloxyphenyl)benzenethiol?
4-(3-propan-2-yloxyphenyl)benzenethiol has a molecular weight of 244.36 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yloxyphenyl)benzenethiol is sourced from PubChem (CID 91656133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).