1-fluoro-3-[(4-hexylphenoxy)methyl]benzene

C19H23FO — CID 123640981

IUPAC1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
SMILESCCCCCCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FO/c1-2-3-4-5-7-16-10-12-19(13-11-16)21-15-17-8-6-9-18(20)14-17/h6,8-14H,2-5,7,15H2,1H3
InChIKeyALRWCBHGRGCPDA-UHFFFAOYSA-N
MW286.39 g/mol
LogP5.53
Rot. Bonds8

About 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene

1-fluoro-3-[(4-hexylphenoxy)methyl]benzene (PubChem CID 123640981) has the molecular formula C19H23FO and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
PubChem CID123640981
Molecular FormulaC19H23FO
Molecular Weight286.39 g/mol
Exact Mass286.17
IUPAC Name1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
SMILESCCCCCCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H23FO/c1-2-3-4-5-7-16-10-12-19(13-11-16)21-15-17-8-6-9-18(20)14-17/h6,8-14H,2-5,7,15H2,1H3
InChIKeyALRWCBHGRGCPDA-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-hexoxy-4-pentylbenzene
CID 54277450
5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
CID 139814633
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
pentafluoro-[4-[(4-pentylphenyl)methoxy]phenyl]-λ6-sulfane
CID 54227321
4-[(4-hexylphenyl)methoxy]-1,2-dimethylbenzene
CID 59265322
1-fluoro-3-[7-(triethoxymethyl)pentadecyl]benzene
CID 172751050

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene?
The IUPAC name of 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene (CID 123640981) is 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene?
The canonical SMILES for 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene is CCCCCCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene?
The InChIKey is ALRWCBHGRGCPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO/c1-2-3-4-5-7-16-10-12-19(13-11-16)21-15-17-8-6-9-18(20)14-17/h6,8-14H,2-5,7,15H2,1H3.
What are the key properties of 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene?
1-fluoro-3-[(4-hexylphenoxy)methyl]benzene has a molecular weight of 286.39 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(4-hexylphenoxy)methyl]benzene is sourced from PubChem (CID 123640981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).