1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene

C22H23FO — CID 173101093

IUPAC1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene
SMILESCCCCC(c1ccc(OC)cc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C22H23FO/c1-3-4-7-18(16-10-12-17(24-2)13-11-16)20-14-15-22(23)21-9-6-5-8-19(20)21/h5-6,8-15,18H,3-4,7H2,1-2H3
InChIKeyZHHFYMKHSYWOFL-UHFFFAOYSA-N
MW322.42 g/mol
LogP6.31
Rot. Bonds6

About 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene

1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene (PubChem CID 173101093) has the molecular formula C22H23FO and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene
PubChem CID173101093
Molecular FormulaC22H23FO
Molecular Weight322.42 g/mol
Exact Mass322.17
IUPAC Name1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene
SMILESCCCCC(c1ccc(OC)cc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C22H23FO/c1-3-4-7-18(16-10-12-17(24-2)13-11-16)20-14-15-22(23)21-9-6-5-8-19(20)21/h5-6,8-15,18H,3-4,7H2,1-2H3
InChIKeyZHHFYMKHSYWOFL-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.42
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene?
The IUPAC name of 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene (CID 173101093) is 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene.
What is the SMILES notation for 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene?
The canonical SMILES for 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene is CCCCC(c1ccc(OC)cc1)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene?
The InChIKey is ZHHFYMKHSYWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FO/c1-3-4-7-18(16-10-12-17(24-2)13-11-16)20-14-15-22(23)21-9-6-5-8-19(20)21/h5-6,8-15,18H,3-4,7H2,1-2H3.
What are the key properties of 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene?
1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene has a molecular weight of 322.42 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[1-(4-methoxyphenyl)pentyl]naphthalene is sourced from PubChem (CID 173101093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).