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

C31H38O — CID 58699027

IUPAC1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
SMILESCCOc1ccc(CCC2CCC(c3ccc(C[C@@H](C)c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C31H38O/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/h4-8,13-16,19-22,24-25,29H,3,9-12,17-18,23H2,1-2H3/t24-,25?,29?/m1/s1
InChIKeyBEDNEOXPXDSDGN-XNORXSBBSA-N
MW426.64 g/mol
LogP8.34
Rot. Bonds9

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

1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene (PubChem CID 58699027) has the molecular formula C31H38O and a molecular weight of 426.64 g/mol. Its IUPAC name is 1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
PubChem CID58699027
Molecular FormulaC31H38O
Molecular Weight426.64 g/mol
Exact Mass426.29
IUPAC Name1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
SMILESCCOc1ccc(CCC2CCC(c3ccc(C[C@@H](C)c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C31H38O/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/h4-8,13-16,19-22,24-25,29H,3,9-12,17-18,23H2,1-2H3/t24-,25?,29?/m1/s1
InChIKeyBEDNEOXPXDSDGN-XNORXSBBSA-N
XLogP8.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58699202
1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698888
1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052664
1,2,3-trifluoro-5-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052402
1,3-difluoro-2-[(2R)-2-phenylpropyl]-5-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 58698060
1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
CID 21052580
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
1-[2-(4-pent-3-enylcyclohexyl)ethyl]-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 90889920
1,3-difluoro-5-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-2-[(2R)-2-phenylpropyl]benzene
CID 58699300
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-butyl-4-(4-propylcyclohexyl)benzene;1-ethoxy-4-(4-propylcyclohexyl)benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 159548432

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene (CID 58699027) is 1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]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-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene?
The InChIKey is BEDNEOXPXDSDGN-XNORXSBBSA-N. The full InChI is InChI=1S/C31H38O/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/h4-8,13-16,19-22,24-25,29H,3,9-12,17-18,23H2,1-2H3/t24-,25?,29?/m1/s1.
What are the key properties of 1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene?
1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene has a molecular weight of 426.64 g/mol, XLogP of 8.34, 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-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 58699027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).