2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene

C23H25FO3 — CID 19761544

IUPAC2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene
SMILESCOC(C)C(C)(OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25FO3/c1-16(25-3)23(2,26-4)20-12-21(24)14-22(13-20)27-15-17-9-10-18-7-5-6-8-19(18)11-17/h5-14,16H,15H2,1-4H3
InChIKeyNWTDXKWSZPZGDY-UHFFFAOYSA-N
MW368.45 g/mol
LogP5.45
Rot. Bonds7

About 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene

2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene (PubChem CID 19761544) has the molecular formula C23H25FO3 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene.

Molecular Properties

Compound Name2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene
PubChem CID19761544
Molecular FormulaC23H25FO3
Molecular Weight368.45 g/mol
Exact Mass368.18
IUPAC Name2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene
SMILESCOC(C)C(C)(OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25FO3/c1-16(25-3)23(2,26-4)20-12-21(24)14-22(13-20)27-15-17-9-10-18-7-5-6-8-19(18)11-17/h5-14,16H,15H2,1-4H3
InChIKeyNWTDXKWSZPZGDY-UHFFFAOYSA-N
XLogP5.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxybutane-1,2-diol
CID 22408605
3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]butanenitrile
CID 19761557
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708
3-[3-(naphthalen-2-ylmethoxy)phenyl]butane-1,3-diol
CID 19761524
3-[3-(naphthalen-2-ylmethoxy)phenyl]pentan-3-ol
CID 22406587
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine
CID 22857844
2-methoxy-2-[3-(naphthalen-2-ylmethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 19773121
(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid
CID 10063602
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene?
The IUPAC name of 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene (CID 19761544) is 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene.
What is the SMILES notation for 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene?
The canonical SMILES for 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene is COC(C)C(C)(OC)c1cc(F)cc(OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene?
The InChIKey is NWTDXKWSZPZGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FO3/c1-16(25-3)23(2,26-4)20-12-21(24)14-22(13-20)27-15-17-9-10-18-7-5-6-8-19(18)11-17/h5-14,16H,15H2,1-4H3.
What are the key properties of 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene?
2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene has a molecular weight of 368.45 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,3-dimethoxybutan-2-yl)-5-fluorophenoxy]methyl]naphthalene is sourced from PubChem (CID 19761544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).