4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol

C9H13ClOS — CID 64665033

IUPAC4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
SMILESCC(CO)CCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-7(6-11)2-3-8-4-5-9(10)12-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyQNDBHIFJYRKWOK-UHFFFAOYSA-N
MW204.72 g/mol
LogP2.96
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol

4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol (PubChem CID 64665033) has the molecular formula C9H13ClOS and a molecular weight of 204.72 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
PubChem CID64665033
Molecular FormulaC9H13ClOS
Molecular Weight204.72 g/mol
Exact Mass204.04
IUPAC Name4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
SMILESCC(CO)CCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-7(6-11)2-3-8-4-5-9(10)12-8/h4-5,7,11H,2-3,6H2,1H3
InChIKeyQNDBHIFJYRKWOK-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
CID 103778502
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183
1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
CID 62320206
2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
CID 115120936
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol (CID 64665033) is 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol is CC(CO)CCc1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol?
The InChIKey is QNDBHIFJYRKWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClOS/c1-7(6-11)2-3-8-4-5-9(10)12-8/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol?
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol has a molecular weight of 204.72 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 64665033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).