3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol

C14H15ClOS — CID 82092111

IUPAC3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CCO)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H15ClOS/c1-10-2-4-11(5-3-10)12(8-9-16)13-6-7-14(15)17-13/h2-7,12,16H,8-9H2,1H3
InChIKeyJMLJXOJKJFYXJK-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.22
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol

3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 82092111) has the molecular formula C14H15ClOS and a molecular weight of 266.79 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
PubChem CID82092111
Molecular FormulaC14H15ClOS
Molecular Weight266.79 g/mol
Exact Mass266.05
IUPAC Name3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CCO)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H15ClOS/c1-10-2-4-11(5-3-10)12(8-9-16)13-6-7-14(15)17-13/h2-7,12,16H,8-9H2,1H3
InChIKeyJMLJXOJKJFYXJK-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 82091891
3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
CID 82082551
3-(5-chlorothiophen-2-yl)butan-1-ol
CID 82075571
(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
CID 43114608
3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 82088502
3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol
CID 102106357
1-[(5-chlorothiophen-2-yl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 4316282
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
(4S)-4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-4-phenylbutan-1-ol
CID 97322792
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43329248
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150022

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol (CID 82092111) is 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CCO)c2ccc(Cl)s2)cc1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is JMLJXOJKJFYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClOS/c1-10-2-4-11(5-3-10)12(8-9-16)13-6-7-14(15)17-13/h2-7,12,16H,8-9H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol?
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 266.79 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 82092111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).