(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid

C13H14O2 — CID 14068816

IUPAC(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid
SMILESO=C(O)[C@H]1C=CCC[C@H]1c1ccccc1
InChIInChI=1S/C13H14O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,5-7,9,11-12H,4,8H2,(H,14,15)/t11-,12-/m0/s1
InChIKeyUIMCJGSZTDWXBJ-RYUDHWBXSA-N
MW202.25 g/mol
LogP2.82
Rot. Bonds2

About (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid

(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid (PubChem CID 14068816) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid
PubChem CID14068816
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid
SMILESO=C(O)[C@H]1C=CCC[C@H]1c1ccccc1
InChIInChI=1S/C13H14O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,5-7,9,11-12H,4,8H2,(H,14,15)/t11-,12-/m0/s1
InChIKeyUIMCJGSZTDWXBJ-RYUDHWBXSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.82
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

benzoyl chloride;cyclohex-3-ene-1,2-dicarboxylic acid
CID 174588900
CID 158982455
CID 158982455
cyclohex-3-ene-1,2-dicarboxylic acid;methane
CID 174553928
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cyclohex-3-ene-1,2-dicarboxylic acid;formic acid
CID 157447073
cyclohexane-1,4-dicarboxylic acid;cyclohex-3-ene-1,2-dicarboxylic acid
CID 67203906
carbonic acid;cyclohex-3-en-1-ylbenzene
CID 70561702
3-phenyloxolane-2-carboxylic acid
CID 122200609
(1R,6R)-6-phenylcyclohept-2-en-1-ol
CID 101173340
(1S,6S)-6-phenylcyclohept-2-en-1-ol
CID 101173341
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid?
The IUPAC name of (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid (CID 14068816) is (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid is O=C(O)[C@H]1C=CCC[C@H]1c1ccccc1.
What is the InChIKey of (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid?
The InChIKey is UIMCJGSZTDWXBJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H14O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,5-7,9,11-12H,4,8H2,(H,14,15)/t11-,12-/m0/s1.
What are the key properties of (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid?
(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 14068816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).