1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol

C18H21FO3 — CID 118142400

IUPAC1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
SMILESCCC(O)CC(O)c1cc(F)ccc1OCc1ccccc1
InChIInChI=1S/C18H21FO3/c1-2-15(20)11-17(21)16-10-14(19)8-9-18(16)22-12-13-6-4-3-5-7-13/h3-10,15,17,20-21H,2,11-12H2,1H3
InChIKeyNONIJKGVBTXPIA-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.60
Rot. Bonds7

About 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol

1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol (PubChem CID 118142400) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol.

Molecular Properties

Compound Name1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
PubChem CID118142400
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
SMILESCCC(O)CC(O)c1cc(F)ccc1OCc1ccccc1
InChIInChI=1S/C18H21FO3/c1-2-15(20)11-17(21)16-10-14(19)8-9-18(16)22-12-13-6-4-3-5-7-13/h3-10,15,17,20-21H,2,11-12H2,1H3
InChIKeyNONIJKGVBTXPIA-UHFFFAOYSA-N
XLogP3.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol
CID 129101482
(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939866
(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
CID 138485730
[(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate
CID 129101483
(1R)-1-[2-[(4-bromophenyl)methoxy]phenyl]propan-1-ol
CID 55188606
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
1-(6-bromo-2-fluoro-3-phenylmethoxyphenyl)propan-1-ol
CID 171367246
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-ol
CID 63364047
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol?
The IUPAC name of 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol (CID 118142400) is 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol.
What is the SMILES notation for 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol?
The canonical SMILES for 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol is CCC(O)CC(O)c1cc(F)ccc1OCc1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol?
The InChIKey is NONIJKGVBTXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3/c1-2-15(20)11-17(21)16-10-14(19)8-9-18(16)22-12-13-6-4-3-5-7-13/h3-10,15,17,20-21H,2,11-12H2,1H3.
What are the key properties of 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol?
1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol has a molecular weight of 304.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol is sourced from PubChem (CID 118142400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).