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

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Related Compounds

2-(1-hydroxy-2-phenylcyclohexyl)-3-methylbutanoic acid
CID 105403267
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898
1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol
CID 79415426
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408
N-but-3-en-2-yl-2-phenylcyclohexan-1-amine
CID 115908185
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
2-amino-1-(1-phenylethyl)cyclopentan-1-ol
CID 67750994
[(E)-3-[(1R,2R)-1-hydroxy-2-phenylcyclohexyl]prop-2-enyl] methyl carbonate
CID 101343776
(1-anilino-2-phenylcyclohexyl)methanol
CID 105403088

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).