[(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol

C16H22O2 — CID 124514972

IUPAC[(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol
SMILESOCC1=CCC[C@@H](CCOCc2ccccc2)C1
InChIInChI=1S/C16H22O2/c17-12-16-8-4-7-14(11-16)9-10-18-13-15-5-2-1-3-6-15/h1-3,5-6,8,14,17H,4,7,9-13H2/t14-/m0/s1
InChIKeyURZGXEJUEGZVTA-AWEZNQCLSA-N
MW246.35 g/mol
LogP3.31
Rot. Bonds6

About [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol

[(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol (PubChem CID 124514972) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol
PubChem CID124514972
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol
SMILESOCC1=CCC[C@@H](CCOCc2ccccc2)C1
InChIInChI=1S/C16H22O2/c17-12-16-8-4-7-14(11-16)9-10-18-13-15-5-2-1-3-6-15/h1-3,5-6,8,14,17H,4,7,9-13H2/t14-/m0/s1
InChIKeyURZGXEJUEGZVTA-AWEZNQCLSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanamine;2-phenylmethoxyethanol
CID 143913686
2-cyclopent-2-en-1-ylethoxymethylbenzene
CID 86221506
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
4-(2-phenylmethoxyethyl)borinane-1-carbonitrile
CID 142259156
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
[3-(2-phenylmethoxyethyl)phenyl]methanol
CID 59371444
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
1-[(1R,2R)-4-(hydroxymethyl)-2-(3-phenylmethoxypropyl)cyclohex-3-en-1-yl]ethanone
CID 101016433

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol?
The IUPAC name of [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol (CID 124514972) is [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol.
What is the SMILES notation for [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol?
The canonical SMILES for [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol is OCC1=CCC[C@@H](CCOCc2ccccc2)C1.
What is the InChIKey of [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol?
The InChIKey is URZGXEJUEGZVTA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22O2/c17-12-16-8-4-7-14(11-16)9-10-18-13-15-5-2-1-3-6-15/h1-3,5-6,8,14,17H,4,7,9-13H2/t14-/m0/s1.
What are the key properties of [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol?
[(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(2-phenylmethoxyethyl)cyclohexen-1-yl]methanol is sourced from PubChem (CID 124514972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).