(2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate

C22H24O3 — CID 139636652

IUPAC(2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate
SMILESO=C(OC1CCCCC1c1ccccc1)[C@H](O)C=Cc1ccccc1
InChIInChI=1S/C22H24O3/c23-20(16-15-17-9-3-1-4-10-17)22(24)25-21-14-8-7-13-19(21)18-11-5-2-6-12-18/h1-6,9-12,15-16,19-21,23H,7-8,13-14H2/t19?,20-,21?/m1/s1
InChIKeyIAPRTACWOFEUQQ-NYLDSWQDSA-N
MW336.43 g/mol
LogP4.33
Rot. Bonds5

About (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate

(2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate (PubChem CID 139636652) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate.

Molecular Properties

Compound Name(2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate
PubChem CID139636652
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name(2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate
SMILESO=C(OC1CCCCC1c1ccccc1)[C@H](O)C=Cc1ccccc1
InChIInChI=1S/C22H24O3/c23-20(16-15-17-9-3-1-4-10-17)22(24)25-21-14-8-7-13-19(21)18-11-5-2-6-12-18/h1-6,9-12,15-16,19-21,23H,7-8,13-14H2/t19?,20-,21?/m1/s1
InChIKeyIAPRTACWOFEUQQ-NYLDSWQDSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylcyclohexyl) 2-oxoacetate
CID 13498606
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[(1S,2R)-2-phenylcyclohexyl] (2S)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
CID 10406608
[(1R,2S)-2-phenylcyclohexyl] N-[[(1R,2S)-2-phenylcyclohexyl]oxycarbonylamino]carbamate
CID 134883244
(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]propanoate
CID 102068637
[(2S)-2-phenylcyclohexyl] 3-phenylprop-2-ynoate
CID 2755291
(2-phenylcyclohexyl) 3-phenylprop-2-ynoate
CID 15189887
[(1R,2S)-2-buta-1,3-dien-2-yloxycyclohexyl]benzene
CID 102426491
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
1-O-tert-butyl 5-O-[(1R,2S)-2-phenylcyclohexyl] (3R)-3-phenylpentanedioate
CID 101340527
(2-phenylcyclohexyl) formate
CID 87286934

Frequently Asked Questions

What is the IUPAC name of (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate?
The IUPAC name of (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate (CID 139636652) is (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate.
What is the SMILES notation for (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate?
The canonical SMILES for (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate is O=C(OC1CCCCC1c1ccccc1)[C@H](O)C=Cc1ccccc1.
What is the InChIKey of (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate?
The InChIKey is IAPRTACWOFEUQQ-NYLDSWQDSA-N. The full InChI is InChI=1S/C22H24O3/c23-20(16-15-17-9-3-1-4-10-17)22(24)25-21-14-8-7-13-19(21)18-11-5-2-6-12-18/h1-6,9-12,15-16,19-21,23H,7-8,13-14H2/t19?,20-,21?/m1/s1.
What are the key properties of (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate?
(2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate has a molecular weight of 336.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclohexyl) (2R)-2-hydroxy-4-phenylbut-3-enoate is sourced from PubChem (CID 139636652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).