2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol

C16H15FO2 — CID 118140792

IUPAC2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
SMILESC=C(CO)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO2/c1-12(10-18)14-3-2-4-16(9-14)19-11-13-5-7-15(17)8-6-13/h2-9,18H,1,10-11H2
InChIKeyMKXXQCFTDCCAAL-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.41
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol

2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol (PubChem CID 118140792) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
PubChem CID118140792
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
SMILESC=C(CO)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO2/c1-12(10-18)14-3-2-4-16(9-14)19-11-13-5-7-15(17)8-6-13/h2-9,18H,1,10-11H2
InChIKeyMKXXQCFTDCCAAL-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22686177
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CID 57107453
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
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1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
prop-2-ynyl 3-[(4-fluorophenyl)methoxy]benzoate
CID 91681581
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol?
The IUPAC name of 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol (CID 118140792) is 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol is C=C(CO)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol?
The InChIKey is MKXXQCFTDCCAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-12(10-18)14-3-2-4-16(9-14)19-11-13-5-7-15(17)8-6-13/h2-9,18H,1,10-11H2.
What are the key properties of 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol?
2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol has a molecular weight of 258.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol is sourced from PubChem (CID 118140792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).