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

C29H40O — CID 58698888

IUPAC1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
SMILESCCOc1ccc(C2CCC(C3CCC(C[C@@H](C)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C29H40O/c1-3-30-29-19-17-28(18-20-29)27-15-13-26(14-16-27)25-11-9-23(10-12-25)21-22(2)24-7-5-4-6-8-24/h4-8,17-20,22-23,25-27H,3,9-16,21H2,1-2H3/t22-,23?,25?,26?,27?/m1/s1
InChIKeyKYPBWNWPZTWYQD-GFJOJVLOSA-N
MW404.64 g/mol
LogP8.36
Rot. Bonds7

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

1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 58698888) has the molecular formula C29H40O and a molecular weight of 404.64 g/mol. Its IUPAC name is 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
PubChem CID58698888
Molecular FormulaC29H40O
Molecular Weight404.64 g/mol
Exact Mass404.31
IUPAC Name1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
SMILESCCOc1ccc(C2CCC(C3CCC(C[C@@H](C)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C29H40O/c1-3-30-29-19-17-28(18-20-29)27-15-13-26(14-16-27)25-11-9-23(10-12-25)21-22(2)24-7-5-4-6-8-24/h4-8,17-20,22-23,25-27H,3,9-16,21H2,1-2H3/t22-,23?,25?,26?,27?/m1/s1
InChIKeyKYPBWNWPZTWYQD-GFJOJVLOSA-N
XLogP8.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 58.36
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-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
1-ethoxy-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]ethyl]benzene
CID 58699027
1-methyl-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]benzene
CID 163627062
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzene
CID 21052589
1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052683
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]cyclohexyl]-4-propylbenzene
CID 58698224
4-[4-[4-(2-phenylpropyl)cyclohexyl]phenyl]benzonitrile
CID 21052969
(4-propylcyclohexyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698956

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene (CID 58698888) is 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene is CCOc1ccc(C2CCC(C3CCC(C[C@@H](C)c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is KYPBWNWPZTWYQD-GFJOJVLOSA-N. The full InChI is InChI=1S/C29H40O/c1-3-30-29-19-17-28(18-20-29)27-15-13-26(14-16-27)25-11-9-23(10-12-25)21-22(2)24-7-5-4-6-8-24/h4-8,17-20,22-23,25-27H,3,9-16,21H2,1-2H3/t22-,23?,25?,26?,27?/m1/s1.
What are the key properties of 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene?
1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 404.64 g/mol, XLogP of 8.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 58698888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).