1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol

C19H21FO3 — CID 134244927

IUPAC1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol
SMILESC=C(CO)C(O)Oc1ccc(-c2ccc(CCC)cc2F)cc1
InChIInChI=1S/C19H21FO3/c1-3-4-14-5-10-17(18(20)11-14)15-6-8-16(9-7-15)23-19(22)13(2)12-21/h5-11,19,21-22H,2-4,12H2,1H3
InChIKeyGFWVRTQGRZRCQL-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.69
Rot. Bonds7

About 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol

1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol (PubChem CID 134244927) has the molecular formula C19H21FO3 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol.

Molecular Properties

Compound Name1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol
PubChem CID134244927
Molecular FormulaC19H21FO3
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Name1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol
SMILESC=C(CO)C(O)Oc1ccc(-c2ccc(CCC)cc2F)cc1
InChIInChI=1S/C19H21FO3/c1-3-4-14-5-10-17(18(20)11-14)15-6-8-16(9-7-15)23-19(22)13(2)12-21/h5-11,19,21-22H,2-4,12H2,1H3
InChIKeyGFWVRTQGRZRCQL-UHFFFAOYSA-N
XLogP3.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

butane;(2S)-2-[4-[2-[3-fluoro-4-[4-[(2R)-1-hydroxypropan-2-yl]oxyphenyl]phenyl]ethyl]phenoxy]propan-1-ol
CID 90725118
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
(1S)-1-[4-[2-fluoro-4-[4-(3-hydroxypropyl)phenyl]phenyl]phenoxy]-2-methylprop-2-en-1-ol
CID 146184933
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
ethane;2-fluoro-4-(3-methoxybut-3-enyl)-1-(4-propylphenyl)benzene;hydrogen peroxide
CID 144914338
1-[4-[2-[4-[2-ethyl-4-(2-hydroxyethyl)phenyl]-3-fluorophenyl]ethyl]phenoxy]-2-methylprop-2-en-1-ol
CID 146207400
[4-(2-fluoro-4-propylphenyl)phenyl] (4-pentylphenyl) carbonate
CID 70483025
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
2-[3-(2-fluoro-4-propylphenyl)-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethyl]phenyl]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 135164073
[4-(2-fluoro-4-hexylphenyl)phenyl] 2-methylidenebutanoate
CID 153494838
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol?
The IUPAC name of 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol (CID 134244927) is 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol.
What is the SMILES notation for 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol?
The canonical SMILES for 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol is C=C(CO)C(O)Oc1ccc(-c2ccc(CCC)cc2F)cc1.
What is the InChIKey of 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol?
The InChIKey is GFWVRTQGRZRCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO3/c1-3-4-14-5-10-17(18(20)11-14)15-6-8-16(9-7-15)23-19(22)13(2)12-21/h5-11,19,21-22H,2-4,12H2,1H3.
What are the key properties of 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol?
1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol has a molecular weight of 316.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-4-propylphenyl)phenoxy]-2-methylidenepropane-1,3-diol is sourced from PubChem (CID 134244927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).