1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol

C10H13BrOS — CID 103564529

IUPAC1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(Cc2sccc2Br)C1
InChIInChI=1S/C10H13BrOS/c1-7-4-10(12,5-7)6-9-8(11)2-3-13-9/h2-3,7,12H,4-6H2,1H3
InChIKeyHDKHDLJAZLVSGN-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.21
Rot. Bonds2

About 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol

1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol (PubChem CID 103564529) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol
PubChem CID103564529
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(Cc2sccc2Br)C1
InChIInChI=1S/C10H13BrOS/c1-7-4-10(12,5-7)6-9-8(11)2-3-13-9/h2-3,7,12H,4-6H2,1H3
InChIKeyHDKHDLJAZLVSGN-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol (CID 103564529) is 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol is CC1CC(O)(Cc2sccc2Br)C1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol?
The InChIKey is HDKHDLJAZLVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c1-7-4-10(12,5-7)6-9-8(11)2-3-13-9/h2-3,7,12H,4-6H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol?
1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol has a molecular weight of 261.18 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 103564529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).