1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene

C18H21FO3 — CID 134849354

IUPAC1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COC[C@@H](CF)OCc2ccccc2)cc1
InChIInChI=1S/C18H21FO3/c1-20-17-9-7-16(8-10-17)12-21-14-18(11-19)22-13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyHHCKCWFGQYKOGY-GOSISDBHSA-N
MW304.36 g/mol
LogP3.77
Rot. Bonds9

About 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene

1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene (PubChem CID 134849354) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene
PubChem CID134849354
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COC[C@@H](CF)OCc2ccccc2)cc1
InChIInChI=1S/C18H21FO3/c1-20-17-9-7-16(8-10-17)12-21-14-18(11-19)22-13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyHHCKCWFGQYKOGY-GOSISDBHSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxybenzyl acetate
CID 7695
Bisphenol F diglycidyl ether
CID 91511
Anisyl propionate
CID 61417
Trismethoxyresveratrol
CID 5388063
Anisyl butyrate
CID 243675
1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
CID 764139
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
1'-Hydroxyestragole
CID 40003
4-Methoxydiphenylmethane
CID 13264
Benzyl isoeugenol
CID 61046
O-((4-methoxyphenyl)methyl)hydroxylamine hydrochloride
CID 120425
Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-
CID 93649

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene?
The IUPAC name of 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene (CID 134849354) is 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene?
The canonical SMILES for 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene is COc1ccc(COC[C@@H](CF)OCc2ccccc2)cc1.
What is the InChIKey of 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene?
The InChIKey is HHCKCWFGQYKOGY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21FO3/c1-20-17-9-7-16(8-10-17)12-21-14-18(11-19)22-13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3/t18-/m1/s1.
What are the key properties of 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene?
1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene has a molecular weight of 304.36 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-3-fluoro-2-phenylmethoxypropoxy]methyl]-4-methoxybenzene is sourced from PubChem (CID 134849354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).