2-butoxy-7-fluorophenanthrene

C18H17FO — CID 18377931

IUPAC2-butoxy-7-fluorophenanthrene
SMILESCCCCOc1ccc2c(ccc3cc(F)ccc32)c1
InChIInChI=1S/C18H17FO/c1-2-3-10-20-16-7-9-18-14(12-16)5-4-13-11-15(19)6-8-17(13)18/h4-9,11-12H,2-3,10H2,1H3
InChIKeyLNDCSFKXYMWZFP-UHFFFAOYSA-N
MW268.33 g/mol
LogP5.31
Rot. Bonds4

About 2-butoxy-7-fluorophenanthrene

2-butoxy-7-fluorophenanthrene (PubChem CID 18377931) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-butoxy-7-fluorophenanthrene.

Molecular Properties

Compound Name2-butoxy-7-fluorophenanthrene
PubChem CID18377931
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name2-butoxy-7-fluorophenanthrene
SMILESCCCCOc1ccc2c(ccc3cc(F)ccc32)c1
InChIInChI=1S/C18H17FO/c1-2-3-10-20-16-7-9-18-14(12-16)5-4-13-11-15(19)6-8-17(13)18/h4-9,11-12H,2-3,10H2,1H3
InChIKeyLNDCSFKXYMWZFP-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.33
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-heptoxy-7-octoxyphenanthrene
CID 21267320
1,6-dipentoxynaphthalene
CID 22144299
2-butoxy-6-methylnaphthalene
CID 58718847
3-heptoxy-8-hexoxybenzo[f]quinoline
CID 21267303
3-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338
2-[2-[4-[2-(4-butoxy-2,6-difluorophenyl)ethynyl]phenyl]ethynyl]-6-fluoronaphthalene
CID 139857768
6-pentoxynaphthalen-1-ol
CID 22144289
2-fluoro-6-[2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857665
3,6,9,10-tetrabutoxyphenanthrene
CID 58825721
2-[2-[4-[2-(4-butoxy-2,6-difluorophenyl)ethynyl]-2,6-difluorophenyl]ethynyl]-6-fluoronaphthalene
CID 139857667
7-bromo-9-fluoro-2-octoxyphenanthrene
CID 22112584
1-chloro-6-octoxynaphthalene-2-carboxylic acid
CID 57123224

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-7-fluorophenanthrene?
The IUPAC name of 2-butoxy-7-fluorophenanthrene (CID 18377931) is 2-butoxy-7-fluorophenanthrene.
What is the SMILES notation for 2-butoxy-7-fluorophenanthrene?
The canonical SMILES for 2-butoxy-7-fluorophenanthrene is CCCCOc1ccc2c(ccc3cc(F)ccc32)c1.
What is the InChIKey of 2-butoxy-7-fluorophenanthrene?
The InChIKey is LNDCSFKXYMWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO/c1-2-3-10-20-16-7-9-18-14(12-16)5-4-13-11-15(19)6-8-17(13)18/h4-9,11-12H,2-3,10H2,1H3.
What are the key properties of 2-butoxy-7-fluorophenanthrene?
2-butoxy-7-fluorophenanthrene has a molecular weight of 268.33 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-7-fluorophenanthrene is sourced from PubChem (CID 18377931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).