2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene

C24H41FO2 — CID 59683719

IUPAC2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene
SMILESCCCCCCCCCCCCCCCCOc1ccc(COC)cc1F
InChIInChI=1S/C24H41FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-24-18-17-22(21-26-2)20-23(24)25/h17-18,20H,3-16,19,21H2,1-2H3
InChIKeyCLZTUMCNJHBPDN-UHFFFAOYSA-N
MW380.59 g/mol
LogP7.83
Rot. Bonds18

About 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene

2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene (PubChem CID 59683719) has the molecular formula C24H41FO2 and a molecular weight of 380.59 g/mol. Its IUPAC name is 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene
PubChem CID59683719
Molecular FormulaC24H41FO2
Molecular Weight380.59 g/mol
Exact Mass380.31
IUPAC Name2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene
SMILESCCCCCCCCCCCCCCCCOc1ccc(COC)cc1F
InChIInChI=1S/C24H41FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-24-18-17-22(21-26-2)20-23(24)25/h17-18,20H,3-16,19,21H2,1-2H3
InChIKeyCLZTUMCNJHBPDN-UHFFFAOYSA-N
XLogP7.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.59
LogP ≤ 57.83
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

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4-dodecoxy-3-fluoroaniline
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CID 57052705
CID 57052705
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
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3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
3-fluoro-4-nonoxybenzonitrile
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2,3-difluoro-1,4-dihexoxybenzene
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(2S)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-octadecoxypropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene?
The IUPAC name of 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene (CID 59683719) is 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene.
What is the SMILES notation for 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene?
The canonical SMILES for 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene is CCCCCCCCCCCCCCCCOc1ccc(COC)cc1F.
What is the InChIKey of 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene?
The InChIKey is CLZTUMCNJHBPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-24-18-17-22(21-26-2)20-23(24)25/h17-18,20H,3-16,19,21H2,1-2H3.
What are the key properties of 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene?
2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene has a molecular weight of 380.59 g/mol, XLogP of 7.83, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene is sourced from PubChem (CID 59683719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).