1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene

C31H44O4 — CID 22726294

IUPAC1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
SMILESCC(Oc1ccc(C(C)(C)c2ccc(OC(C)OC3CCCCC3)cc2)cc1)OC1CCCCC1
InChIInChI=1S/C31H44O4/c1-23(32-27-11-7-5-8-12-27)34-29-19-15-25(16-20-29)31(3,4)26-17-21-30(22-18-26)35-24(2)33-28-13-9-6-10-14-28/h15-24,27-28H,5-14H2,1-4H3
InChIKeyUGPWPWZGCKWWCA-UHFFFAOYSA-N
MW480.69 g/mol
LogP8.16
Rot. Bonds10

About 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene

1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene (PubChem CID 22726294) has the molecular formula C31H44O4 and a molecular weight of 480.69 g/mol. Its IUPAC name is 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
PubChem CID22726294
Molecular FormulaC31H44O4
Molecular Weight480.69 g/mol
Exact Mass480.32
IUPAC Name1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
SMILESCC(Oc1ccc(C(C)(C)c2ccc(OC(C)OC3CCCCC3)cc2)cc1)OC1CCCCC1
InChIInChI=1S/C31H44O4/c1-23(32-27-11-7-5-8-12-27)34-29-19-15-25(16-20-29)31(3,4)26-17-21-30(22-18-26)35-24(2)33-28-13-9-6-10-14-28/h15-24,27-28H,5-14H2,1-4H3
InChIKeyUGPWPWZGCKWWCA-UHFFFAOYSA-N
XLogP8.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.69
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Etofenprox
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CID 77333
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Bisphenol A bis(3-methacryloyloxypropyl) ether
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4,4'-Diethoxybiphenyl
CID 617993
(1-Methylethylidene)bis(4,1-phenyleneoxy(1-methyl-2,1-ethanediyl))bismethacrylate
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CID 113539

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene?
The IUPAC name of 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene (CID 22726294) is 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene is CC(Oc1ccc(C(C)(C)c2ccc(OC(C)OC3CCCCC3)cc2)cc1)OC1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene?
The InChIKey is UGPWPWZGCKWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44O4/c1-23(32-27-11-7-5-8-12-27)34-29-19-15-25(16-20-29)31(3,4)26-17-21-30(22-18-26)35-24(2)33-28-13-9-6-10-14-28/h15-24,27-28H,5-14H2,1-4H3.
What are the key properties of 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene?
1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene has a molecular weight of 480.69 g/mol, XLogP of 8.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 22726294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).