(3-methyl-3-phenoxybutoxy)methylbenzene

C18H22O2 — CID 59317010

IUPAC(3-methyl-3-phenoxybutoxy)methylbenzene
SMILESCC(C)(CCOCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H22O2/c1-18(2,20-17-11-7-4-8-12-17)13-14-19-15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3
InChIKeyWDMDLVHVYNAHIY-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.45
Rot. Bonds7

About (3-methyl-3-phenoxybutoxy)methylbenzene

(3-methyl-3-phenoxybutoxy)methylbenzene (PubChem CID 59317010) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3-methyl-3-phenoxybutoxy)methylbenzene.

Molecular Properties

Compound Name(3-methyl-3-phenoxybutoxy)methylbenzene
PubChem CID59317010
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(3-methyl-3-phenoxybutoxy)methylbenzene
SMILESCC(C)(CCOCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H22O2/c1-18(2,20-17-11-7-4-8-12-17)13-14-19-15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3
InChIKeyWDMDLVHVYNAHIY-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.45
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

2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
(3-chloro-5,5,5-trifluoro-3-methylpentoxy)methylbenzene
CID 162621053
[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene
CID 143148556
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
(3-methyl-3-phenoxybutyl) methanesulfonate
CID 59317059
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
CID 122240236
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine
CID 130537173
ethane;phenylmethoxymethylbenzene
CID 90943549
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-phenoxybutoxy)methylbenzene?
The IUPAC name of (3-methyl-3-phenoxybutoxy)methylbenzene (CID 59317010) is (3-methyl-3-phenoxybutoxy)methylbenzene.
What is the SMILES notation for (3-methyl-3-phenoxybutoxy)methylbenzene?
The canonical SMILES for (3-methyl-3-phenoxybutoxy)methylbenzene is CC(C)(CCOCc1ccccc1)Oc1ccccc1.
What is the InChIKey of (3-methyl-3-phenoxybutoxy)methylbenzene?
The InChIKey is WDMDLVHVYNAHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-18(2,20-17-11-7-4-8-12-17)13-14-19-15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3.
What are the key properties of (3-methyl-3-phenoxybutoxy)methylbenzene?
(3-methyl-3-phenoxybutoxy)methylbenzene has a molecular weight of 270.37 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-phenoxybutoxy)methylbenzene is sourced from PubChem (CID 59317010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).