(1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol

C12H16O2 — CID 135000512

IUPAC(1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol
SMILESC[C@](O)(C1=CCCCC1)c1ccoc1
InChIInChI=1S/C12H16O2/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h5,7-9,13H,2-4,6H2,1H3/t12-/m0/s1
InChIKeyLEIOMBWMMPSFAD-LBPRGKRZSA-N
MW192.26 g/mol
LogP2.99
Rot. Bonds2

About (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol

(1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol (PubChem CID 135000512) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol
PubChem CID135000512
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol
SMILESC[C@](O)(C1=CCCCC1)c1ccoc1
InChIInChI=1S/C12H16O2/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h5,7-9,13H,2-4,6H2,1H3/t12-/m0/s1
InChIKeyLEIOMBWMMPSFAD-LBPRGKRZSA-N
XLogP2.99
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol?
The IUPAC name of (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol (CID 135000512) is (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol?
The canonical SMILES for (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol is C[C@](O)(C1=CCCCC1)c1ccoc1.
What is the InChIKey of (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol?
The InChIKey is LEIOMBWMMPSFAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h5,7-9,13H,2-4,6H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol?
(1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(cyclohexen-1-yl)-1-(furan-3-yl)ethanol is sourced from PubChem (CID 135000512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).