1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene

C18H21FO3 — CID 59223964

IUPAC1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene
SMILESCOCCCOc1cc(C)cc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FO3/c1-14-10-17(21-9-3-8-20-2)12-18(11-14)22-13-15-4-6-16(19)7-5-15/h4-7,10-12H,3,8-9,13H2,1-2H3
InChIKeyIBZQQDKLWCOTCO-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.13
Rot. Bonds8

About 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene

1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene (PubChem CID 59223964) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene
PubChem CID59223964
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene
SMILESCOCCCOc1cc(C)cc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FO3/c1-14-10-17(21-9-3-8-20-2)12-18(11-14)22-13-15-4-6-16(19)7-5-15/h4-7,10-12H,3,8-9,13H2,1-2H3
InChIKeyIBZQQDKLWCOTCO-UHFFFAOYSA-N
XLogP4.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3-[2-(3-methoxypropoxy)ethoxy]-5-methylphenol
CID 107679911
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
3-fluoro-5-[(4-fluorophenyl)methoxy]phenol
CID 146557101
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
1-fluoro-4-(phenoxymethyl)benzene
CID 957495

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene (CID 59223964) is 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene is COCCCOc1cc(C)cc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene?
The InChIKey is IBZQQDKLWCOTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c1-14-10-17(21-9-3-8-20-2)12-18(11-14)22-13-15-4-6-16(19)7-5-15/h4-7,10-12H,3,8-9,13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene?
1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene has a molecular weight of 304.36 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]-3-(3-methoxypropoxy)-5-methylbenzene is sourced from PubChem (CID 59223964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).