cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol

C16H22O — CID 102289513

IUPACcis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol
SMILESC=C[C@@H](C)[C@]1(O)CCCC[C@H]1c1ccccc1
InChIInChI=1S/C16H22O/c1-3-13(2)16(17)12-8-7-11-15(16)14-9-5-4-6-10-14/h3-6,9-10,13,15,17H,1,7-8,11-12H2,2H3/t13-,15+,16-/m1/s1
InChIKeyTUZMRNWSRPTJDX-VNQPRFMTSA-N
MW230.35 g/mol
LogP3.90
Rot. Bonds3

About cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol

cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol (PubChem CID 102289513) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol
PubChem CID102289513
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Namecis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol
SMILESC=C[C@@H](C)[C@]1(O)CCCC[C@H]1c1ccccc1
InChIInChI=1S/C16H22O/c1-3-13(2)16(17)12-8-7-11-15(16)14-9-5-4-6-10-14/h3-6,9-10,13,15,17H,1,7-8,11-12H2,2H3/t13-,15+,16-/m1/s1
InChIKeyTUZMRNWSRPTJDX-VNQPRFMTSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol (CID 102289513) is cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol is C=C[C@@H](C)[C@]1(O)CCCC[C@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol?
The InChIKey is TUZMRNWSRPTJDX-VNQPRFMTSA-N. The full InChI is InChI=1S/C16H22O/c1-3-13(2)16(17)12-8-7-11-15(16)14-9-5-4-6-10-14/h3-6,9-10,13,15,17H,1,7-8,11-12H2,2H3/t13-,15+,16-/m1/s1.
What are the key properties of cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol?
cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 102289513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).