(4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol

C16H22O2Se — CID 10592118

IUPAC(4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol
SMILESC=C(CO)[C@@H]1CCC(C)(O)C([Se]c2ccccc2)C1
InChIInChI=1S/C16H22O2Se/c1-12(11-17)13-8-9-16(2,18)15(10-13)19-14-6-4-3-5-7-14/h3-7,13,15,17-18H,1,8-11H2,2H3/t13-,15?,16?/m1/s1
InChIKeyCHQCTLDUXZYZBE-IUDNXUCKSA-N
MW325.31 g/mol
LogP1.90
Rot. Bonds4

About (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol

(4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol (PubChem CID 10592118) has the molecular formula C16H22O2Se and a molecular weight of 325.31 g/mol. Its IUPAC name is (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol.

Molecular Properties

Compound Name(4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol
PubChem CID10592118
Molecular FormulaC16H22O2Se
Molecular Weight325.31 g/mol
Exact Mass326.08
IUPAC Name(4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol
SMILESC=C(CO)[C@@H]1CCC(C)(O)C([Se]c2ccccc2)C1
InChIInChI=1S/C16H22O2Se/c1-12(11-17)13-8-9-16(2,18)15(10-13)19-14-6-4-3-5-7-14/h3-7,13,15,17-18H,1,8-11H2,2H3/t13-,15?,16?/m1/s1
InChIKeyCHQCTLDUXZYZBE-IUDNXUCKSA-N
XLogP1.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-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

Related Compounds

(1S,2R,4R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 90102025
(1S,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 140690071
(1R,4aR,7S,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 15837514
(2S,4aS,6R,8aS)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-ol
CID 102400158
(1S,2S,4R)-1-methyl-2-[[(1R)-1-phenylethyl]amino]-4-prop-1-en-2-ylcyclohexan-1-ol
CID 70163697
(1R,2R,4S)-1-methyl-2-[[(1S)-1-phenylethyl]amino]-4-prop-1-en-2-ylcyclohexan-1-ol
CID 70134697
(1S,2R,4R)-1-methyl-2-(2-phenylpropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 10956665
2-[(2R,4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-en-1-ol
CID 162929374
(1S,4R,6R)-1,3,3-trimethyl-6-phenylselanyl-2-oxabicyclo[2.2.2]octane
CID 10448039
2-phenylselanyl-2-(2,6,6-trimethyl-5-phenylselanyloxan-2-yl)ethanol
CID 11059918
6-(3-hydroxyprop-1-en-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 565632
(1S,3aS,4R,7S,8aS)-7-[3-(1H-indol-2-yl)prop-1-en-2-yl]-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
CID 163038541

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol?
The IUPAC name of (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol (CID 10592118) is (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol.
What is the SMILES notation for (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol?
The canonical SMILES for (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol is C=C(CO)[C@@H]1CCC(C)(O)C([Se]c2ccccc2)C1.
What is the InChIKey of (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol?
The InChIKey is CHQCTLDUXZYZBE-IUDNXUCKSA-N. The full InChI is InChI=1S/C16H22O2Se/c1-12(11-17)13-8-9-16(2,18)15(10-13)19-14-6-4-3-5-7-14/h3-7,13,15,17-18H,1,8-11H2,2H3/t13-,15?,16?/m1/s1.
What are the key properties of (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol?
(4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol has a molecular weight of 325.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-hydroxyprop-1-en-2-yl)-1-methyl-2-phenylselanylcyclohexan-1-ol is sourced from PubChem (CID 10592118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).