cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol

C17H16FNO2 — CID 138703006

IUPACcyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(C(O)=C2CC2)cnc1OCc1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-11-8-14(16(20)13-4-5-13)9-19-17(11)21-10-12-2-6-15(18)7-3-12/h2-3,6-9,20H,4-5,10H2,1H3
InChIKeyLOBYCSZKWQITRC-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.17
Rot. Bonds4

About cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol

cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol (PubChem CID 138703006) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Namecyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol
PubChem CID138703006
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Namecyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(C(O)=C2CC2)cnc1OCc1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-11-8-14(16(20)13-4-5-13)9-19-17(11)21-10-12-2-6-15(18)7-3-12/h2-3,6-9,20H,4-5,10H2,1H3
InChIKeyLOBYCSZKWQITRC-UHFFFAOYSA-N
XLogP4.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]phenyl]methanone
CID 57082208
(1R)-1-(5-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-ol
CID 124501397
1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
CID 90444036
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide
CID 58368095
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
10-fluoro-7-[(4-fluorophenyl)methoxy]-8-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine
CID 143097570
2-[5-[(4-fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
5-fluoro-2-[(6-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 91664501
2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95922976
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225

Frequently Asked Questions

What is the IUPAC name of cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol?
The IUPAC name of cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol (CID 138703006) is cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol is Cc1cc(C(O)=C2CC2)cnc1OCc1ccc(F)cc1.
What is the InChIKey of cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol?
The InChIKey is LOBYCSZKWQITRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-8-14(16(20)13-4-5-13)9-19-17(11)21-10-12-2-6-15(18)7-3-12/h2-3,6-9,20H,4-5,10H2,1H3.
What are the key properties of cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol?
cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol has a molecular weight of 285.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylidene-[6-[(4-fluorophenyl)methoxy]-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 138703006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).