5-(5-chlorothiophen-2-yl)pentan-2-ol

C9H13ClOS — CID 64515785

IUPAC5-(5-chlorothiophen-2-yl)pentan-2-ol
SMILESCC(O)CCCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-7(11)3-2-4-8-5-6-9(10)12-8/h5-7,11H,2-4H2,1H3
InChIKeyPAJXGJBJBVQZCV-UHFFFAOYSA-N
MW204.72 g/mol
LogP3.11
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)pentan-2-ol

5-(5-chlorothiophen-2-yl)pentan-2-ol (PubChem CID 64515785) has the molecular formula C9H13ClOS and a molecular weight of 204.72 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)pentan-2-ol
PubChem CID64515785
Molecular FormulaC9H13ClOS
Molecular Weight204.72 g/mol
Exact Mass204.04
IUPAC Name5-(5-chlorothiophen-2-yl)pentan-2-ol
SMILESCC(O)CCCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-7(11)3-2-4-8-5-6-9(10)12-8/h5-7,11H,2-4H2,1H3
InChIKeyPAJXGJBJBVQZCV-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
CID 143591547
2-(4-bromohexyl)-5-chlorothiophene
CID 64509206
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
3-(5-chlorothiophen-2-yl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 71864025
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183
4-(5-chlorothiophen-2-yl)butanenitrile
CID 82075240
(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
CID 103778502

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)pentan-2-ol?
The IUPAC name of 5-(5-chlorothiophen-2-yl)pentan-2-ol (CID 64515785) is 5-(5-chlorothiophen-2-yl)pentan-2-ol.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)pentan-2-ol?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)pentan-2-ol is CC(O)CCCc1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)pentan-2-ol?
The InChIKey is PAJXGJBJBVQZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClOS/c1-7(11)3-2-4-8-5-6-9(10)12-8/h5-7,11H,2-4H2,1H3.
What are the key properties of 5-(5-chlorothiophen-2-yl)pentan-2-ol?
5-(5-chlorothiophen-2-yl)pentan-2-ol has a molecular weight of 204.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)pentan-2-ol is sourced from PubChem (CID 64515785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).