2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene

C17H15FO — CID 134377917

IUPAC2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene
SMILESC#CCCc1cc(F)ccc1OCc1ccccc1
InChIInChI=1S/C17H15FO/c1-2-3-9-15-12-16(18)10-11-17(15)19-13-14-7-5-4-6-8-14/h1,4-8,10-12H,3,9,13H2
InChIKeyHCVNZXWSKMEGBK-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.97
Rot. Bonds5

About 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene

2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene (PubChem CID 134377917) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene
PubChem CID134377917
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene
SMILESC#CCCc1cc(F)ccc1OCc1ccccc1
InChIInChI=1S/C17H15FO/c1-2-3-9-15-12-16(18)10-11-17(15)19-13-14-7-5-4-6-8-14/h1,4-8,10-12H,3,9,13H2
InChIKeyHCVNZXWSKMEGBK-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
CID 91468453
CID 91468453
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
(2S)-5-(4-fluoro-2-phenylmethoxyphenyl)pentan-2-ol
CID 173039005
1-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene
CID 107698765
1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 43141601

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene?
The IUPAC name of 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene (CID 134377917) is 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene.
What is the SMILES notation for 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene?
The canonical SMILES for 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene is C#CCCc1cc(F)ccc1OCc1ccccc1.
What is the InChIKey of 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene?
The InChIKey is HCVNZXWSKMEGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c1-2-3-9-15-12-16(18)10-11-17(15)19-13-14-7-5-4-6-8-14/h1,4-8,10-12H,3,9,13H2.
What are the key properties of 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene?
2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene has a molecular weight of 254.30 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-4-fluoro-1-phenylmethoxybenzene is sourced from PubChem (CID 134377917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).