1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol

C14H15ClOS — CID 105119687

IUPAC1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClOS/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(15)17-13/h2-5,8-9,12,16H,6-7H2,1H3
InChIKeyHUIYSRZDIOYJTN-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.38
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol

1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol (PubChem CID 105119687) has the molecular formula C14H15ClOS and a molecular weight of 266.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
PubChem CID105119687
Molecular FormulaC14H15ClOS
Molecular Weight266.79 g/mol
Exact Mass266.05
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CCC(O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClOS/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(15)17-13/h2-5,8-9,12,16H,6-7H2,1H3
InChIKeyHUIYSRZDIOYJTN-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105173534
1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
CID 65149922
2-[1-bromo-2-(2-methylphenyl)ethyl]-5-chlorothiophene
CID 63441693
3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 105102698
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119763
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol
CID 105119774
1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
CID 63895314
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537661

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol (CID 105119687) is 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol?
The InChIKey is HUIYSRZDIOYJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClOS/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(15)17-13/h2-5,8-9,12,16H,6-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol?
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol has a molecular weight of 266.79 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105119687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).