1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene

C29H40O — CID 21052580

IUPAC1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
SMILESCCOC1CCC(C2CCC(c3ccc(CC(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/h4-12,22,26-29H,3,13-21H2,1-2H3
InChIKeyRCXFRPHWQZBNJT-UHFFFAOYSA-N
MW404.64 g/mol
LogP7.90
Rot. Bonds7

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

1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene (PubChem CID 21052580) has the molecular formula C29H40O and a molecular weight of 404.64 g/mol. Its IUPAC name is 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene.

Molecular Properties

Compound Name1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
PubChem CID21052580
Molecular FormulaC29H40O
Molecular Weight404.64 g/mol
Exact Mass404.31
IUPAC Name1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
SMILESCCOC1CCC(C2CCC(c3ccc(CC(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/h4-12,22,26-29H,3,13-21H2,1-2H3
InChIKeyRCXFRPHWQZBNJT-UHFFFAOYSA-N
XLogP7.90
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 ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
5-[4-(4-ethoxycyclohexyl)phenyl]-1,3-difluoro-2-[(2S)-2-phenylpropyl]benzene
CID 58698515
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-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698888
4-[4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexyl]cyclohexa-1,3-dien-1-ol
CID 71102894
1,4-bis(2-phenylpropyl)benzene
CID 19376086
(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 58698364
1,2,3-trifluoro-5-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052402
1-[(E)-pent-3-enyl]-4-[2-[4-[4-(2-phenylpropyl)phenyl]cyclohexyl]ethyl]benzene
CID 21052664
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
1-fluoro-4-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]benzene
CID 21052652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene?
The IUPAC name of 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene (CID 21052580) is 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene.
What is the SMILES notation for 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene?
The canonical SMILES for 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene is CCOC1CCC(C2CCC(c3ccc(CC(C)c4ccccc4)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene?
The InChIKey is RCXFRPHWQZBNJT-UHFFFAOYSA-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/h4-12,22,26-29H,3,13-21H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene?
1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene has a molecular weight of 404.64 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene is sourced from PubChem (CID 21052580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).