1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol

C16H17FO3 — CID 83951061

IUPAC1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
SMILESCOc1cccc(C(C)O)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H17FO3/c1-11(18)14-4-3-5-15(19-2)16(14)20-10-12-6-8-13(17)9-7-12/h3-9,11,18H,10H2,1-2H3
InChIKeyIHJACMCKLWSECO-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol

1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol (PubChem CID 83951061) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
PubChem CID83951061
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
SMILESCOc1cccc(C(C)O)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H17FO3/c1-11(18)14-4-3-5-15(19-2)16(14)20-10-12-6-8-13(17)9-7-12/h3-9,11,18H,10H2,1-2H3
InChIKeyIHJACMCKLWSECO-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052
2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride
CID 46779695
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
CID 66515873
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291397
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4722183

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol?
The IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol (CID 83951061) is 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol is COc1cccc(C(C)O)c1OCc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol?
The InChIKey is IHJACMCKLWSECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-11(18)14-4-3-5-15(19-2)16(14)20-10-12-6-8-13(17)9-7-12/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol?
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol is sourced from PubChem (CID 83951061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).