1-(3-fluoro-4-phenylmethoxyphenyl)ethanol

C15H15FO2 — CID 115582207

IUPAC1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
SMILESCC(O)c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FO2/c1-11(17)13-7-8-15(14(16)9-13)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3
InChIKeyBLRPFFIKRXXQGC-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.46
Rot. Bonds4

About 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol

1-(3-fluoro-4-phenylmethoxyphenyl)ethanol (PubChem CID 115582207) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
PubChem CID115582207
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
SMILESCC(O)c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FO2/c1-11(17)13-7-8-15(14(16)9-13)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3
InChIKeyBLRPFFIKRXXQGC-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(1S)-1-[4-[(4-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanol
CID 107882473
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 86605117
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The IUPAC name of 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol (CID 115582207) is 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol is CC(O)c1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
The InChIKey is BLRPFFIKRXXQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-11(17)13-7-8-15(14(16)9-13)18-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3.
What are the key properties of 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol?
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol has a molecular weight of 246.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 115582207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).