1-(cyclohexylmethoxy)-4-pentoxybenzene

C18H28O2 — CID 90350366

IUPAC1-(cyclohexylmethoxy)-4-pentoxybenzene
SMILESCCCCCOc1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C18H28O2/c1-2-3-7-14-19-17-10-12-18(13-11-17)20-15-16-8-5-4-6-9-16/h10-13,16H,2-9,14-15H2,1H3
InChIKeyWDDPCYKVFOLHLC-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.21
Rot. Bonds8

About 1-(cyclohexylmethoxy)-4-pentoxybenzene

1-(cyclohexylmethoxy)-4-pentoxybenzene (PubChem CID 90350366) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-4-pentoxybenzene.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-4-pentoxybenzene
PubChem CID90350366
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(cyclohexylmethoxy)-4-pentoxybenzene
SMILESCCCCCOc1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C18H28O2/c1-2-3-7-14-19-17-10-12-18(13-11-17)20-15-16-8-5-4-6-9-16/h10-13,16H,2-9,14-15H2,1H3
InChIKeyWDDPCYKVFOLHLC-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylmethoxy)-4-pentoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(cyclohexylmethoxy)phenyl]-5-octoxypyrimidine
CID 70305796
1-[3-(2-butylcyclohexyl)propoxy]-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 57055997
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 57242235
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-[3-(4-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 19739250
1,4-dipentoxybenzene
CID 18314717
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
1-[3-(4-ethylcyclohexyl)propoxy]-4-[(4-hexylcyclohexyl)methoxy]benzene
CID 19738873
N-(2-cyclohexylethyl)-4-hexoxyaniline
CID 83961487
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-4-pentoxybenzene?
The IUPAC name of 1-(cyclohexylmethoxy)-4-pentoxybenzene (CID 90350366) is 1-(cyclohexylmethoxy)-4-pentoxybenzene.
What is the SMILES notation for 1-(cyclohexylmethoxy)-4-pentoxybenzene?
The canonical SMILES for 1-(cyclohexylmethoxy)-4-pentoxybenzene is CCCCCOc1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethoxy)-4-pentoxybenzene?
The InChIKey is WDDPCYKVFOLHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-2-3-7-14-19-17-10-12-18(13-11-17)20-15-16-8-5-4-6-9-16/h10-13,16H,2-9,14-15H2,1H3.
What are the key properties of 1-(cyclohexylmethoxy)-4-pentoxybenzene?
1-(cyclohexylmethoxy)-4-pentoxybenzene has a molecular weight of 276.42 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-4-pentoxybenzene is sourced from PubChem (CID 90350366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).