4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene

C18H19FO — CID 123624962

IUPAC4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(OCC2CC2)c2ccccc2)ccc1F
InChIInChI=1S/C18H19FO/c1-13-11-16(9-10-17(13)19)18(20-12-14-7-8-14)15-5-3-2-4-6-15/h2-6,9-11,14,18H,7-8,12H2,1H3
InChIKeyDVKCQDWCWBXANV-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.65
Rot. Bonds5

About 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene

4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene (PubChem CID 123624962) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene
PubChem CID123624962
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(OCC2CC2)c2ccccc2)ccc1F
InChIInChI=1S/C18H19FO/c1-13-11-16(9-10-17(13)19)18(20-12-14-7-8-14)15-5-3-2-4-6-15/h2-6,9-11,14,18H,7-8,12H2,1H3
InChIKeyDVKCQDWCWBXANV-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene
CID 144916573
1-[cyclopropylmethoxy(phenyl)methyl]-3-nitrobenzene
CID 118355566
2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 3549326
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine
CID 54215740
2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(phenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[2-fluoro-5-[hydroxy(phenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 159271303
2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62119932
4-(1-chloro-2-phenylpropyl)-1-fluoro-2-methylbenzene
CID 114028911
cyclopropylmethyl 2-benzhydryloxyacetate
CID 57147359
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethoxy]methyl]oxirane
CID 97179906
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium
CID 7745828

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene (CID 123624962) is 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene is Cc1cc(C(OCC2CC2)c2ccccc2)ccc1F.
What is the InChIKey of 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene?
The InChIKey is DVKCQDWCWBXANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-13-11-16(9-10-17(13)19)18(20-12-14-7-8-14)15-5-3-2-4-6-15/h2-6,9-11,14,18H,7-8,12H2,1H3.
What are the key properties of 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene?
4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene has a molecular weight of 270.35 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 123624962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).