4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol

C16H18FNO2 — CID 167628234

IUPAC4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol
SMILESOCCCCc1cc(OCc2ccccc2)c(F)cn1
InChIInChI=1S/C16H18FNO2/c17-15-11-18-14(8-4-5-9-19)10-16(15)20-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,19H,4-5,8-9,12H2
InChIKeyNKMRIBAWXKSWFJ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.11
Rot. Bonds7

About 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol

4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol (PubChem CID 167628234) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol
PubChem CID167628234
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol
SMILESOCCCCc1cc(OCc2ccccc2)c(F)cn1
InChIInChI=1S/C16H18FNO2/c17-15-11-18-14(8-4-5-9-19)10-16(15)20-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,19H,4-5,8-9,12H2
InChIKeyNKMRIBAWXKSWFJ-UHFFFAOYSA-N
XLogP3.11
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-(5-chloro-8-phenylmethoxyquinolin-2-yl)undecan-1-ol
CID 86299863
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
2-(2,6-difluoro-4-phenylmethoxyphenyl)ethanol
CID 134414342
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 170887590
4-chloro-6-fluoro-7-phenylmethoxyquinazoline
CID 86605229
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
5-methyl-2-(2-naphthalen-1-ylethyl)-4-phenylmethoxypyridine;hydrochloride
CID 14441408
2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 541841
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol?
The IUPAC name of 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol (CID 167628234) is 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol?
The canonical SMILES for 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol is OCCCCc1cc(OCc2ccccc2)c(F)cn1.
What is the InChIKey of 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol?
The InChIKey is NKMRIBAWXKSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-15-11-18-14(8-4-5-9-19)10-16(15)20-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,19H,4-5,8-9,12H2.
What are the key properties of 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol?
4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol has a molecular weight of 275.32 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-phenylmethoxy-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 167628234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).