(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol

C13H17ClOS — CID 106651291

IUPAC(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
SMILESOC(C1=CCCCCCC1)c1cc(Cl)cs1
InChIInChI=1S/C13H17ClOS/c14-11-8-12(16-9-11)13(15)10-6-4-2-1-3-5-7-10/h6,8-9,13,15H,1-5,7H2
InChIKeyDKWJEDGDJUWKPQ-UHFFFAOYSA-N
MW256.80 g/mol
LogP4.72
Rot. Bonds2

About (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol

(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol (PubChem CID 106651291) has the molecular formula C13H17ClOS and a molecular weight of 256.80 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
PubChem CID106651291
Molecular FormulaC13H17ClOS
Molecular Weight256.80 g/mol
Exact Mass256.07
IUPAC Name(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
SMILESOC(C1=CCCCCCC1)c1cc(Cl)cs1
InChIInChI=1S/C13H17ClOS/c14-11-8-12(16-9-11)13(15)10-6-4-2-1-3-5-7-10/h6,8-9,13,15H,1-5,7H2
InChIKeyDKWJEDGDJUWKPQ-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 54.72
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
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908
cyclohepten-1-yl(1,3-thiazol-5-yl)methanol
CID 106651556
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
CID 106657822
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
cyclohexen-1-yl(1,3-thiazol-5-yl)methanol
CID 106651555
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509
cyclopenten-1-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 55033988
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
CID 106651057
(4-bromothiophen-2-yl)-(cycloocten-1-yl)methanamine
CID 106653050

Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol?
The IUPAC name of (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol (CID 106651291) is (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol is OC(C1=CCCCCCC1)c1cc(Cl)cs1.
What is the InChIKey of (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol?
The InChIKey is DKWJEDGDJUWKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClOS/c14-11-8-12(16-9-11)13(15)10-6-4-2-1-3-5-7-10/h6,8-9,13,15H,1-5,7H2.
What are the key properties of (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol?
(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol has a molecular weight of 256.80 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol is sourced from PubChem (CID 106651291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).