4-(2-methylpropylsulfinyl)phenol

C10H14O2S — CID 130057577

IUPAC4-(2-methylpropylsulfinyl)phenol
SMILESCC(C)CS(=O)c1ccc(O)cc1
InChIInChI=1S/C10H14O2S/c1-8(2)7-13(12)10-5-3-9(11)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKeyKDEFLVAPVXFVNL-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.16
Rot. Bonds3

About 4-(2-methylpropylsulfinyl)phenol

4-(2-methylpropylsulfinyl)phenol (PubChem CID 130057577) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(2-methylpropylsulfinyl)phenol.

Molecular Properties

Compound Name4-(2-methylpropylsulfinyl)phenol
PubChem CID130057577
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name4-(2-methylpropylsulfinyl)phenol
SMILESCC(C)CS(=O)c1ccc(O)cc1
InChIInChI=1S/C10H14O2S/c1-8(2)7-13(12)10-5-3-9(11)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKeyKDEFLVAPVXFVNL-UHFFFAOYSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-2-methylpropylsulfinyl]-4-phenylbenzene
CID 139094070
N,N-diethyl-4-(2-methylpropylsulfinyl)aniline
CID 53343812
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
4-(benzenesulfinyl)phenol;2-methylpropane;propane
CID 143694404
(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
CID 11206200
3-(4-hydroxyphenyl)sulfinylpropanoic acid
CID 70579893
2-[1-[4-(2-methylpropylsulfinyl)phenyl]ethylideneamino]ethanimidamide
CID 166072653
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
CID 61304128
3-[(S)-2-methylpropylsulfinyl]benzaldehyde
CID 125464974
sodium;hydride;4-(4-hydroxyphenyl)sulfinylphenol
CID 173421371
1-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 64658921

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfinyl)phenol?
The IUPAC name of 4-(2-methylpropylsulfinyl)phenol (CID 130057577) is 4-(2-methylpropylsulfinyl)phenol.
What is the SMILES notation for 4-(2-methylpropylsulfinyl)phenol?
The canonical SMILES for 4-(2-methylpropylsulfinyl)phenol is CC(C)CS(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-methylpropylsulfinyl)phenol?
The InChIKey is KDEFLVAPVXFVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8(2)7-13(12)10-5-3-9(11)4-6-10/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 4-(2-methylpropylsulfinyl)phenol?
4-(2-methylpropylsulfinyl)phenol has a molecular weight of 198.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfinyl)phenol is sourced from PubChem (CID 130057577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).