4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol

C17H19FO3 — CID 82185811

IUPAC4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol
SMILESOCC(O)CCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FO3/c18-15-6-1-14(2-7-15)12-21-17-9-4-13(5-10-17)3-8-16(20)11-19/h1-2,4-7,9-10,16,19-20H,3,8,11-12H2
InChIKeyGIQGZVUPNUBOJC-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.69
Rot. Bonds7

About 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol

4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol (PubChem CID 82185811) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol
PubChem CID82185811
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol
SMILESOCC(O)CCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FO3/c18-15-6-1-14(2-7-15)12-21-17-9-4-13(5-10-17)3-8-16(20)11-19/h1-2,4-7,9-10,16,19-20H,3,8,11-12H2
InChIKeyGIQGZVUPNUBOJC-UHFFFAOYSA-N
XLogP2.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170892261
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid
CID 139937334
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
3-bromo-1-[4-[(4-fluorophenyl)methoxy]phenyl]propane-1,2-diol
CID 171861171
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
CID 169454334

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol (CID 82185811) is 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol is OCC(O)CCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol?
The InChIKey is GIQGZVUPNUBOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c18-15-6-1-14(2-7-15)12-21-17-9-4-13(5-10-17)3-8-16(20)11-19/h1-2,4-7,9-10,16,19-20H,3,8,11-12H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol?
4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol has a molecular weight of 290.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol is sourced from PubChem (CID 82185811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).