cyclohepten-1-yl(thiophen-2-yl)methanol

C12H16OS — CID 62077908

IUPACcyclohepten-1-yl(thiophen-2-yl)methanol
SMILESOC(C1=CCCCCC1)c1cccs1
InChIInChI=1S/C12H16OS/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h5-6,8-9,12-13H,1-4,7H2
InChIKeyHKNHERBAXDZXGN-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.67
Rot. Bonds2

About cyclohepten-1-yl(thiophen-2-yl)methanol

cyclohepten-1-yl(thiophen-2-yl)methanol (PubChem CID 62077908) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is cyclohepten-1-yl(thiophen-2-yl)methanol.

Molecular Properties

Compound Namecyclohepten-1-yl(thiophen-2-yl)methanol
PubChem CID62077908
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Namecyclohepten-1-yl(thiophen-2-yl)methanol
SMILESOC(C1=CCCCCC1)c1cccs1
InChIInChI=1S/C12H16OS/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h5-6,8-9,12-13H,1-4,7H2
InChIKeyHKNHERBAXDZXGN-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.67
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(thiophen-2-yl)methanamine
CID 62078485
1-[(1E)-cycloocten-1-yl]-2-thiophen-2-ylethanol
CID 106657625
cyclohepten-1-yl(1,3-thiazol-5-yl)methanol
CID 106651556
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
CID 106651291
N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
CID 62080201
(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol
CID 63796459
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
CID 106657822
cyclohexen-1-ylmethanediol
CID 21392290

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(thiophen-2-yl)methanol?
The IUPAC name of cyclohepten-1-yl(thiophen-2-yl)methanol (CID 62077908) is cyclohepten-1-yl(thiophen-2-yl)methanol.
What is the SMILES notation for cyclohepten-1-yl(thiophen-2-yl)methanol?
The canonical SMILES for cyclohepten-1-yl(thiophen-2-yl)methanol is OC(C1=CCCCCC1)c1cccs1.
What is the InChIKey of cyclohepten-1-yl(thiophen-2-yl)methanol?
The InChIKey is HKNHERBAXDZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h5-6,8-9,12-13H,1-4,7H2.
What are the key properties of cyclohepten-1-yl(thiophen-2-yl)methanol?
cyclohepten-1-yl(thiophen-2-yl)methanol has a molecular weight of 208.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(thiophen-2-yl)methanol is sourced from PubChem (CID 62077908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).