2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene

C27H25FO2 — CID 3068480

IUPAC2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C27H25FO2/c1-27(2,23-14-13-21-8-6-7-9-22(21)17-23)19-29-18-20-12-15-25(28)26(16-20)30-24-10-4-3-5-11-24/h3-17H,18-19H2,1-2H3
InChIKeyUGEDAEXVXXQOJC-UHFFFAOYSA-N
MW400.49 g/mol
LogP7.27
Rot. Bonds7

About 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene

2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene (PubChem CID 3068480) has the molecular formula C27H25FO2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene.

Molecular Properties

Compound Name2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene
PubChem CID3068480
Molecular FormulaC27H25FO2
Molecular Weight400.49 g/mol
Exact Mass400.18
IUPAC Name2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene
SMILESCC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C27H25FO2/c1-27(2,23-14-13-21-8-6-7-9-22(21)17-23)19-29-18-20-12-15-25(28)26(16-20)30-24-10-4-3-5-11-24/h3-17H,18-19H2,1-2H3
InChIKeyUGEDAEXVXXQOJC-UHFFFAOYSA-N
XLogP7.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene?
The IUPAC name of 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene (CID 3068480) is 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene.
What is the SMILES notation for 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene?
The canonical SMILES for 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene is CC(C)(COCc1ccc(F)c(Oc2ccccc2)c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene?
The InChIKey is UGEDAEXVXXQOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FO2/c1-27(2,23-14-13-21-8-6-7-9-22(21)17-23)19-29-18-20-12-15-25(28)26(16-20)30-24-10-4-3-5-11-24/h3-17H,18-19H2,1-2H3.
What are the key properties of 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene?
2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene has a molecular weight of 400.49 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]naphthalene is sourced from PubChem (CID 3068480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).