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

C14H15ClO2S — CID 105119771

IUPAC1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClO2S/c1-10-3-2-4-11(9-10)17-8-7-12(16)13-5-6-14(15)18-13/h2-6,9,12,16H,7-8H2,1H3
InChIKeyLXCUHNWLYVHIGV-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.21
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol (PubChem CID 105119771) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
PubChem CID105119771
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClO2S/c1-10-3-2-4-11(9-10)17-8-7-12(16)13-5-6-14(15)18-13/h2-6,9,12,16H,7-8H2,1H3
InChIKeyLXCUHNWLYVHIGV-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
CID 105127429
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
CID 102649671
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105099504

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol (CID 105119771) is 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol is Cc1cccc(OCCC(O)c2ccc(Cl)s2)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol?
The InChIKey is LXCUHNWLYVHIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c1-10-3-2-4-11(9-10)17-8-7-12(16)13-5-6-14(15)18-13/h2-6,9,12,16H,7-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol?
1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol has a molecular weight of 282.79 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol is sourced from PubChem (CID 105119771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).