1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene

C32H38O2 — CID 59499066

IUPAC1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene
SMILESC=CCCCOCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)cc1
InChIInChI=1S/C32H38O2/c1-3-4-5-22-33-23-24-34-32-20-18-31(19-21-32)30-16-14-29(15-17-30)28-12-10-27(11-13-28)26-8-6-25(2)7-9-26/h3,10-21,25-26H,1,4-9,22-24H2,2H3
InChIKeyIOOFSBPEJCGEKG-UHFFFAOYSA-N
MW454.65 g/mol
LogP8.68
Rot. Bonds11

About 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene

1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene (PubChem CID 59499066) has the molecular formula C32H38O2 and a molecular weight of 454.65 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene
PubChem CID59499066
Molecular FormulaC32H38O2
Molecular Weight454.65 g/mol
Exact Mass454.29
IUPAC Name1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene
SMILESC=CCCCOCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)cc1
InChIInChI=1S/C32H38O2/c1-3-4-5-22-33-23-24-34-32-20-18-31(19-21-32)30-16-14-29(15-17-30)28-12-10-27(11-13-28)26-8-6-25(2)7-9-26/h3,10-21,25-26H,1,4-9,22-24H2,2H3
InChIKeyIOOFSBPEJCGEKG-UHFFFAOYSA-N
XLogP8.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hex-5-enylcyclohexyl)-4-[3-[4-(4-methylcyclohexyl)cyclohexyl]oxypropoxy]benzene
CID 59498866
1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
CID 20676986
1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
CID 67859342
tribromo-[3-[4-(4-methylcyclohexyl)phenoxy]propyl]silane
CID 18612110
1-(4-methylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 58933295
1-butoxy-4-[4-[4-(difluoromethyl)cyclohexyl]phenyl]benzene
CID 19436543
1-(4-methylcyclohexyl)-4-[4-(2-methylheptoxy)phenyl]benzene
CID 20539249
6-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenoxy]hexyl prop-2-enoate
CID 161214482
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene?
The IUPAC name of 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene (CID 59499066) is 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene is C=CCCCOCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene?
The InChIKey is IOOFSBPEJCGEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O2/c1-3-4-5-22-33-23-24-34-32-20-18-31(19-21-32)30-16-14-29(15-17-30)28-12-10-27(11-13-28)26-8-6-25(2)7-9-26/h3,10-21,25-26H,1,4-9,22-24H2,2H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene?
1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene has a molecular weight of 454.65 g/mol, XLogP of 8.68, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-[4-[4-(2-pent-4-enoxyethoxy)phenyl]phenyl]benzene is sourced from PubChem (CID 59499066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).