(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol

C19H28O — CID 101174954

IUPAC(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol
SMILESCC1CCC(C(C)C)C([C@@H](O)/C=C/c2ccccc2)C1
InChIInChI=1S/C19H28O/c1-14(2)17-11-9-15(3)13-18(17)19(20)12-10-16-7-5-4-6-8-16/h4-8,10,12,14-15,17-20H,9,11,13H2,1-3H3/b12-10+/t15?,17?,18?,19-/m0/s1
InChIKeyAHIJGSKEYFHDJU-HVECLQSKSA-N
MW272.43 g/mol
LogP4.77
Rot. Bonds4

About (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol

(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol (PubChem CID 101174954) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol
PubChem CID101174954
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol
SMILESCC1CCC(C(C)C)C([C@@H](O)/C=C/c2ccccc2)C1
InChIInChI=1S/C19H28O/c1-14(2)17-11-9-15(3)13-18(17)19(20)12-10-16-7-5-4-6-8-16/h4-8,10,12,14-15,17-20H,9,11,13H2,1-3H3/b12-10+/t15?,17?,18?,19-/m0/s1
InChIKeyAHIJGSKEYFHDJU-HVECLQSKSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z,1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylbut-2-ene-1,4-diol
CID 101356340
(E,1R)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-3-phenylprop-2-en-1-ol
CID 124771319
(E,1R)-3-methyl-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbut-2-en-1-ol
CID 101052478
(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol
CID 15984657
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-phenylprop-2-enoate
CID 7053810
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E,2R)-2-ethyl-3-oxo-5-phenylpent-4-enoate
CID 7159464
(E,1R)-1-[(2R,3R)-3-methyloxiran-2-yl]-3-phenylprop-2-en-1-ol
CID 10797753
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569
2-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenoxyacetic acid
CID 118599668
[(1Z,3E)-2-methoxy-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-phenylbuta-1,3-dienyl]benzene
CID 102405534

Frequently Asked Questions

What is the IUPAC name of (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol?
The IUPAC name of (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol (CID 101174954) is (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol is CC1CCC(C(C)C)C([C@@H](O)/C=C/c2ccccc2)C1.
What is the InChIKey of (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol?
The InChIKey is AHIJGSKEYFHDJU-HVECLQSKSA-N. The full InChI is InChI=1S/C19H28O/c1-14(2)17-11-9-15(3)13-18(17)19(20)12-10-16-7-5-4-6-8-16/h4-8,10,12,14-15,17-20H,9,11,13H2,1-3H3/b12-10+/t15?,17?,18?,19-/m0/s1.
What are the key properties of (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol?
(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol has a molecular weight of 272.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 101174954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).