[4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol

C18H20FNO — CID 142316374

IUPAC[4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol
SMILESCc1ccc(-c2cc(C)nc3c2CC(C)(CO)C3)c(F)c1
InChIInChI=1S/C18H20FNO/c1-11-4-5-13(16(19)6-11)14-7-12(2)20-17-9-18(3,10-21)8-15(14)17/h4-7,21H,8-10H2,1-3H3
InChIKeyZVYMPNXHENNCTG-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.60
Rot. Bonds2

About [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol

[4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol (PubChem CID 142316374) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol
PubChem CID142316374
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name[4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol
SMILESCc1ccc(-c2cc(C)nc3c2CC(C)(CO)C3)c(F)c1
InChIInChI=1S/C18H20FNO/c1-11-4-5-13(16(19)6-11)14-7-12(2)20-17-9-18(3,10-21)8-15(14)17/h4-7,21H,8-10H2,1-3H3
InChIKeyZVYMPNXHENNCTG-UHFFFAOYSA-N
XLogP3.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol?
The IUPAC name of [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol (CID 142316374) is [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol.
What is the SMILES notation for [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol?
The canonical SMILES for [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol is Cc1ccc(-c2cc(C)nc3c2CC(C)(CO)C3)c(F)c1.
What is the InChIKey of [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol?
The InChIKey is ZVYMPNXHENNCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11-4-5-13(16(19)6-11)14-7-12(2)20-17-9-18(3,10-21)8-15(14)17/h4-7,21H,8-10H2,1-3H3.
What are the key properties of [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol?
[4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol has a molecular weight of 285.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-4-methylphenyl)-2,6-dimethyl-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanol is sourced from PubChem (CID 142316374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).