(3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol

C11H13ClOS — CID 103404383

IUPAC(3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol
SMILESCc1csc(C(O)C2=CCCC2)c1Cl
InChIInChI=1S/C11H13ClOS/c1-7-6-14-11(9(7)12)10(13)8-4-2-3-5-8/h4,6,10,13H,2-3,5H2,1H3
InChIKeyOHRDANFOTGPYGA-UHFFFAOYSA-N
MW228.74 g/mol
LogP3.85
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol

(3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol (PubChem CID 103404383) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol
PubChem CID103404383
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol
SMILESCc1csc(C(O)C2=CCCC2)c1Cl
InChIInChI=1S/C11H13ClOS/c1-7-6-14-11(9(7)12)10(13)8-4-2-3-5-8/h4,6,10,13H,2-3,5H2,1H3
InChIKeyOHRDANFOTGPYGA-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclopenten-1-yl-(2,4,6-trimethylphenyl)methanol
CID 62078570
(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 103407202
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
[(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 103408765
1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
CID 103408117
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
CID 106651291
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethoxyphenyl)methanol
CID 103408157
(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol
CID 103404367
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408313

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol (CID 103404383) is (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol is Cc1csc(C(O)C2=CCCC2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol?
The InChIKey is OHRDANFOTGPYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClOS/c1-7-6-14-11(9(7)12)10(13)8-4-2-3-5-8/h4,6,10,13H,2-3,5H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol has a molecular weight of 228.74 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methanol is sourced from PubChem (CID 103404383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).