2-[3-(thian-4-yl)phenyl]propan-2-ol

C14H20OS — CID 117345675

IUPAC2-[3-(thian-4-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C2CCSCC2)c1
InChIInChI=1S/C14H20OS/c1-14(2,15)13-5-3-4-12(10-13)11-6-8-16-9-7-11/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyLFSDKWHJBJDKOB-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.52
Rot. Bonds2

About 2-[3-(thian-4-yl)phenyl]propan-2-ol

2-[3-(thian-4-yl)phenyl]propan-2-ol (PubChem CID 117345675) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-[3-(thian-4-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(thian-4-yl)phenyl]propan-2-ol
PubChem CID117345675
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name2-[3-(thian-4-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C2CCSCC2)c1
InChIInChI=1S/C14H20OS/c1-14(2,15)13-5-3-4-12(10-13)11-6-8-16-9-7-11/h3-5,10-11,15H,6-9H2,1-2H3
InChIKeyLFSDKWHJBJDKOB-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
2,2-dimethyl-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117446763
2-[3-chloro-4-(thiolan-3-yl)phenyl]propan-2-ol
CID 117395485
4-phenylthiane
CID 601191
1-(3-cyclobutylphenyl)-1-(4-methylphenyl)ethanol
CID 114601068
1-(3-cyclobutylphenyl)-1-(2-methylphenyl)ethanol
CID 114601070
3-(thian-4-yl)benzonitrile
CID 117292000
2-(3-cyclopropylphenyl)-2-methylpropan-1-amine
CID 155943933
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
CID 114601094
1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol
CID 114601649
2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol
CID 117341023

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thian-4-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[3-(thian-4-yl)phenyl]propan-2-ol (CID 117345675) is 2-[3-(thian-4-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(thian-4-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-(thian-4-yl)phenyl]propan-2-ol is CC(C)(O)c1cccc(C2CCSCC2)c1.
What is the InChIKey of 2-[3-(thian-4-yl)phenyl]propan-2-ol?
The InChIKey is LFSDKWHJBJDKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-14(2,15)13-5-3-4-12(10-13)11-6-8-16-9-7-11/h3-5,10-11,15H,6-9H2,1-2H3.
What are the key properties of 2-[3-(thian-4-yl)phenyl]propan-2-ol?
2-[3-(thian-4-yl)phenyl]propan-2-ol has a molecular weight of 236.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thian-4-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117345675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).