4,4-dimethylpentoxybenzene;fluoromethane

C14H23FO — CID 158387745

IUPAC4,4-dimethylpentoxybenzene;fluoromethane
SMILESCC(C)(C)CCCOc1ccccc1.CF
InChIInChI=1S/C13H20O.CH3F/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12;1-2/h4-6,8-9H,7,10-11H2,1-3H3;1H3
InChIKeyGWOKNDAFURDWOI-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.48
Rot. Bonds4

About 4,4-dimethylpentoxybenzene;fluoromethane

4,4-dimethylpentoxybenzene;fluoromethane (PubChem CID 158387745) has the molecular formula C14H23FO and a molecular weight of 226.34 g/mol. Its IUPAC name is 4,4-dimethylpentoxybenzene;fluoromethane.

Molecular Properties

Compound Name4,4-dimethylpentoxybenzene;fluoromethane
PubChem CID158387745
Molecular FormulaC14H23FO
Molecular Weight226.34 g/mol
Exact Mass226.17
IUPAC Name4,4-dimethylpentoxybenzene;fluoromethane
SMILESCC(C)(C)CCCOc1ccccc1.CF
InChIInChI=1S/C13H20O.CH3F/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12;1-2/h4-6,8-9H,7,10-11H2,1-3H3;1H3
InChIKeyGWOKNDAFURDWOI-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Anisole
CID 7519
Phenetole
CID 7674
Butyl phenyl ether
CID 14311
p-Methoxyphenetole
CID 78760
Benzene, (2-bromoethoxy)-
CID 68526
1,4-Diethoxybenzene
CID 67150
Allyl phenyl ether
CID 74458
Benzyl Phenyl Ether
CID 70352
Phenyl vinyl ether
CID 69840
Benzene, (1,1,2,2-tetrafluoroethoxy)-
CID 67692
Benzene, propoxy-
CID 12155
2-Methoxyethyl phenyl ether
CID 96375

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentoxybenzene;fluoromethane?
The IUPAC name of 4,4-dimethylpentoxybenzene;fluoromethane (CID 158387745) is 4,4-dimethylpentoxybenzene;fluoromethane.
What is the SMILES notation for 4,4-dimethylpentoxybenzene;fluoromethane?
The canonical SMILES for 4,4-dimethylpentoxybenzene;fluoromethane is CC(C)(C)CCCOc1ccccc1.CF.
What is the InChIKey of 4,4-dimethylpentoxybenzene;fluoromethane?
The InChIKey is GWOKNDAFURDWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.CH3F/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12;1-2/h4-6,8-9H,7,10-11H2,1-3H3;1H3.
What are the key properties of 4,4-dimethylpentoxybenzene;fluoromethane?
4,4-dimethylpentoxybenzene;fluoromethane has a molecular weight of 226.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentoxybenzene;fluoromethane is sourced from PubChem (CID 158387745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).