1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene

C23H32O2 — CID 58676284

IUPAC1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCc2ccccc2)cc1
InChIInChI=1S/C23H32O2/c1-22(2,3)18-23(4,5)20-11-13-21(14-12-20)25-16-15-24-17-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3
InChIKeyBMRLNSCGCVZJTC-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.00
Rot. Bonds8

About 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene

1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene (PubChem CID 58676284) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
PubChem CID58676284
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCc2ccccc2)cc1
InChIInChI=1S/C23H32O2/c1-22(2,3)18-23(4,5)20-11-13-21(14-12-20)25-16-15-24-17-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3
InChIKeyBMRLNSCGCVZJTC-UHFFFAOYSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.00
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

1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243319
sodium;benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;hydrochloride
CID 173249788
diphenyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]phosphane
CID 15550976
sodium;boranuide;1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243325
1-[2-(2-iodoethoxy)ethoxy]-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 130452071
azane;benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;phenol;chloride;hydrochloride
CID 174918053
benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium carbonate
CID 86744670
2-methyl-1-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]propan-2-amine;hydrochloride
CID 173054273
benzyl-[2-[2-[4-(2,4,4,6,6,8,8-heptamethylnonan-2-yl)phenoxy]ethoxy]ethyl]-dimethylazanium
CID 134295314
1-ethoxy-4-(2-methyl-1-phenylmethoxypropan-2-yl)benzene
CID 142632162
N-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
CID 19818977
dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride
CID 118296277

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The IUPAC name of 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene (CID 58676284) is 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene.
What is the SMILES notation for 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The canonical SMILES for 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene is CC(C)(C)CC(C)(C)c1ccc(OCCOCc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The InChIKey is BMRLNSCGCVZJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-22(2,3)18-23(4,5)20-11-13-21(14-12-20)25-16-15-24-17-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3.
What are the key properties of 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene?
1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene has a molecular weight of 340.51 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene is sourced from PubChem (CID 58676284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).