1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene

C27H38O2 — CID 102047471

IUPAC1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCCCCCCOc3ccccc3)cc2)CC1
InChIInChI=1S/C27H38O2/c1-2-10-23-13-15-24(16-14-23)25-17-19-27(20-18-25)29-22-9-4-3-8-21-28-26-11-6-5-7-12-26/h5-7,11-12,17-20,23-24H,2-4,8-10,13-16,21-22H2,1H3
InChIKeyCSINFZZONPMDME-UHFFFAOYSA-N
MW394.60 g/mol
LogP7.78
Rot. Bonds12

About 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene

1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene (PubChem CID 102047471) has the molecular formula C27H38O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
PubChem CID102047471
Molecular FormulaC27H38O2
Molecular Weight394.60 g/mol
Exact Mass394.29
IUPAC Name1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCCCCCCOc3ccccc3)cc2)CC1
InChIInChI=1S/C27H38O2/c1-2-10-23-13-15-24(16-14-23)25-17-19-27(20-18-25)29-22-9-4-3-8-21-28-26-11-6-5-7-12-26/h5-7,11-12,17-20,23-24H,2-4,8-10,13-16,21-22H2,1H3
InChIKeyCSINFZZONPMDME-UHFFFAOYSA-N
XLogP7.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane
CID 123271377
1-O-ethyl 4-O-[6-[4-(4-propylcyclohexyl)phenoxy]hexyl] butanedioate
CID 58027851

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene (CID 102047471) is 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OCCCCCCOc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene?
The InChIKey is CSINFZZONPMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O2/c1-2-10-23-13-15-24(16-14-23)25-17-19-27(20-18-25)29-22-9-4-3-8-21-28-26-11-6-5-7-12-26/h5-7,11-12,17-20,23-24H,2-4,8-10,13-16,21-22H2,1H3.
What are the key properties of 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene?
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene has a molecular weight of 394.60 g/mol, XLogP of 7.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 102047471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).