1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol

C14H19ClOS — CID 105076726

IUPAC1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
SMILESOC(Cc1cccc(Cl)c1)CC1CCSCC1
InChIInChI=1S/C14H19ClOS/c15-13-3-1-2-12(8-13)10-14(16)9-11-4-6-17-7-5-11/h1-3,8,11,14,16H,4-7,9-10H2
InChIKeySAOLBSMWDHHFNZ-UHFFFAOYSA-N
MW270.82 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol

1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol (PubChem CID 105076726) has the molecular formula C14H19ClOS and a molecular weight of 270.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
PubChem CID105076726
Molecular FormulaC14H19ClOS
Molecular Weight270.82 g/mol
Exact Mass270.08
IUPAC Name1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
SMILESOC(Cc1cccc(Cl)c1)CC1CCSCC1
InChIInChI=1S/C14H19ClOS/c15-13-3-1-2-12(8-13)10-14(16)9-11-4-6-17-7-5-11/h1-3,8,11,14,16H,4-7,9-10H2
InChIKeySAOLBSMWDHHFNZ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105076793
1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol
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1-(5-chloro-2-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
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1-(4-bromophenyl)-3-(thian-4-yl)propan-2-ol
CID 105077414
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chlorophenyl)propan-2-ol
CID 55224817
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
CID 63530757
2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol (CID 105076726) is 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol is OC(Cc1cccc(Cl)c1)CC1CCSCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol?
The InChIKey is SAOLBSMWDHHFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClOS/c15-13-3-1-2-12(8-13)10-14(16)9-11-4-6-17-7-5-11/h1-3,8,11,14,16H,4-7,9-10H2.
What are the key properties of 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol?
1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol has a molecular weight of 270.82 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol is sourced from PubChem (CID 105076726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).