1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene

C31H44O — CID 58699202

IUPAC1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
SMILESCCOc1ccc(CCC2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C31H44O/c1-3-32-31-21-15-26(16-22-31)10-9-25-11-17-29(18-12-25)30-19-13-27(14-20-30)23-24(2)28-7-5-4-6-8-28/h4-8,15-16,21-22,24-25,27,29-30H,3,9-14,17-20,23H2,1-2H3/t24-,25?,27?,29?,30?/m0/s1
InChIKeyOJUQYWSNTMFLRZ-GLQLURSFSA-N
MW432.69 g/mol
LogP8.82
Rot. Bonds9

About 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene

1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene (PubChem CID 58699202) has the molecular formula C31H44O and a molecular weight of 432.69 g/mol. Its IUPAC name is 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
PubChem CID58699202
Molecular FormulaC31H44O
Molecular Weight432.69 g/mol
Exact Mass432.34
IUPAC Name1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
SMILESCCOc1ccc(CCC2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C31H44O/c1-3-32-31-21-15-26(16-22-31)10-9-25-11-17-29(18-12-25)30-19-13-27(14-20-30)23-24(2)28-7-5-4-6-8-28/h4-8,15-16,21-22,24-25,27,29-30H,3,9-14,17-20,23H2,1-2H3/t24-,25?,27?,29?,30?/m0/s1
InChIKeyOJUQYWSNTMFLRZ-GLQLURSFSA-N
XLogP8.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698888
1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
CID 58699027
1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052683
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
CID 21052521
1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
CID 58698899
4-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]cyclohexan-1-ol
CID 71102889
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58699069

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene (CID 58699202) is 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene is CCOc1ccc(CCC2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene?
The InChIKey is OJUQYWSNTMFLRZ-GLQLURSFSA-N. The full InChI is InChI=1S/C31H44O/c1-3-32-31-21-15-26(16-22-31)10-9-25-11-17-29(18-12-25)30-19-13-27(14-20-30)23-24(2)28-7-5-4-6-8-28/h4-8,15-16,21-22,24-25,27,29-30H,3,9-14,17-20,23H2,1-2H3/t24-,25?,27?,29?,30?/m0/s1.
What are the key properties of 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene?
1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene has a molecular weight of 432.69 g/mol, XLogP of 8.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 58699202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).