(2E)-2-benzylidene-1-methylcyclopentan-1-ol

C13H16O — CID 14809946

IUPAC(2E)-2-benzylidene-1-methylcyclopentan-1-ol
SMILESCC1(O)CCC/C1=C\c1ccccc1
InChIInChI=1S/C13H16O/c1-13(14)9-5-8-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,10,14H,5,8-9H2,1H3/b12-10+
InChIKeyCXTMRGLKFMNCGX-ZRDIBKRKSA-N
MW188.27 g/mol
LogP3.00
Rot. Bonds1

About (2E)-2-benzylidene-1-methylcyclopentan-1-ol

(2E)-2-benzylidene-1-methylcyclopentan-1-ol (PubChem CID 14809946) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2E)-2-benzylidene-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(2E)-2-benzylidene-1-methylcyclopentan-1-ol
PubChem CID14809946
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2E)-2-benzylidene-1-methylcyclopentan-1-ol
SMILESCC1(O)CCC/C1=C\c1ccccc1
InChIInChI=1S/C13H16O/c1-13(14)9-5-8-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,10,14H,5,8-9H2,1H3/b12-10+
InChIKeyCXTMRGLKFMNCGX-ZRDIBKRKSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-1-methylcyclopentan-1-ol?
The IUPAC name of (2E)-2-benzylidene-1-methylcyclopentan-1-ol (CID 14809946) is (2E)-2-benzylidene-1-methylcyclopentan-1-ol.
What is the SMILES notation for (2E)-2-benzylidene-1-methylcyclopentan-1-ol?
The canonical SMILES for (2E)-2-benzylidene-1-methylcyclopentan-1-ol is CC1(O)CCC/C1=C\c1ccccc1.
What is the InChIKey of (2E)-2-benzylidene-1-methylcyclopentan-1-ol?
The InChIKey is CXTMRGLKFMNCGX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H16O/c1-13(14)9-5-8-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,10,14H,5,8-9H2,1H3/b12-10+.
What are the key properties of (2E)-2-benzylidene-1-methylcyclopentan-1-ol?
(2E)-2-benzylidene-1-methylcyclopentan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-1-methylcyclopentan-1-ol is sourced from PubChem (CID 14809946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).