(1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol

C16H20O — CID 11299140

IUPAC(1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@]1(O)CCCC/C1=C\c1ccccc1
InChIInChI=1S/C16H20O/c1-2-11-16(17)12-7-6-10-15(16)13-14-8-4-3-5-9-14/h2-5,8-9,13,17H,1,6-7,10-12H2/b15-13+/t16-/m0/s1
InChIKeyTZDINCUYEJUVFI-MDJJKAFGSA-N
MW228.34 g/mol
LogP3.95
Rot. Bonds3

About (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol

(1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol (PubChem CID 11299140) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol
PubChem CID11299140
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@]1(O)CCCC/C1=C\c1ccccc1
InChIInChI=1S/C16H20O/c1-2-11-16(17)12-7-6-10-15(16)13-14-8-4-3-5-9-14/h2-5,8-9,13,17H,1,6-7,10-12H2/b15-13+/t16-/m0/s1
InChIKeyTZDINCUYEJUVFI-MDJJKAFGSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-2-propanol
CID 12053
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283
alpha-Cyclohexylbenzenemethanol
CID 95668
1-(Phenylethynyl)-1-cyclohexanol
CID 593776

Frequently Asked Questions

What is the IUPAC name of (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol?
The IUPAC name of (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol (CID 11299140) is (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol is C=CC[C@]1(O)CCCC/C1=C\c1ccccc1.
What is the InChIKey of (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol?
The InChIKey is TZDINCUYEJUVFI-MDJJKAFGSA-N. The full InChI is InChI=1S/C16H20O/c1-2-11-16(17)12-7-6-10-15(16)13-14-8-4-3-5-9-14/h2-5,8-9,13,17H,1,6-7,10-12H2/b15-13+/t16-/m0/s1.
What are the key properties of (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol?
(1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol has a molecular weight of 228.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E)-2-benzylidene-1-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 11299140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).