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

C14H15ClO2S — CID 117240491

IUPAC2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
SMILESCc1ccccc1OCC(CO)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClO2S/c1-10-4-2-3-5-12(10)17-9-11(8-16)13-6-7-14(15)18-13/h2-7,11,16H,8-9H2,1H3
InChIKeyDMGCDJDKLTUXOM-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.86
Rot. Bonds5

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

2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol (PubChem CID 117240491) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
PubChem CID117240491
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
SMILESCc1ccccc1OCC(CO)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClO2S/c1-10-4-2-3-5-12(10)17-9-11(8-16)13-6-7-14(15)18-13/h2-7,11,16H,8-9H2,1H3
InChIKeyDMGCDJDKLTUXOM-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240543
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 61469219
4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240691
2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240483
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol
CID 117240073
methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
CID 117240950
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
3-methyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242351
2-(5-chlorothiophen-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 117240439
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol (CID 117240491) is 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol is Cc1ccccc1OCC(CO)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol?
The InChIKey is DMGCDJDKLTUXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c1-10-4-2-3-5-12(10)17-9-11(8-16)13-6-7-14(15)18-13/h2-7,11,16H,8-9H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol?
2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol has a molecular weight of 282.79 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol is sourced from PubChem (CID 117240491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).