2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol

C15H15ClOS — CID 79982846

IUPAC2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1ccccc1C1CC1
InChIInChI=1S/C15H15ClOS/c16-15-8-7-11(18-15)9-14(17)13-4-2-1-3-12(13)10-5-6-10/h1-4,7-8,10,14,17H,5-6,9H2
InChIKeyBJXYYGKMTNZBRW-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.55
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol

2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol (PubChem CID 79982846) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
PubChem CID79982846
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1ccccc1C1CC1
InChIInChI=1S/C15H15ClOS/c16-15-8-7-11(18-15)9-14(17)13-4-2-1-3-12(13)10-5-6-10/h1-4,7-8,10,14,17H,5-6,9H2
InChIKeyBJXYYGKMTNZBRW-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
1-(2-cyclopropylphenyl)-2-phenylethanol
CID 79983635
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 79983379
1-(2-cyclopropylphenyl)-2-(2-fluorophenyl)ethanol
CID 79982321
2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 65148256
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085
1-(2-cyclopropylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 79970895
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
3-amino-1-(2-cyclopropylphenyl)propan-1-ol
CID 79982961
3-(2-cyclopropylphenyl)-3-hydroxypropanal
CID 114795310
1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786093

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol (CID 79982846) is 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol is OC(Cc1ccc(Cl)s1)c1ccccc1C1CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol?
The InChIKey is BJXYYGKMTNZBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c16-15-8-7-11(18-15)9-14(17)13-4-2-1-3-12(13)10-5-6-10/h1-4,7-8,10,14,17H,5-6,9H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol?
2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol has a molecular weight of 278.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79982846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).