4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol

C16H17NO2 — CID 83075608

IUPAC4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)C1CCc2cccnc21
InChIInChI=1S/C16H17NO2/c1-16(19,12-5-7-13(18)8-6-12)14-9-4-11-3-2-10-17-15(11)14/h2-3,5-8,10,14,18-19H,4,9H2,1H3
InChIKeyBVAOSZWHHGGBIF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.72
Rot. Bonds2

About 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol

4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol (PubChem CID 83075608) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol
PubChem CID83075608
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol
SMILESCC(O)(c1ccc(O)cc1)C1CCc2cccnc21
InChIInChI=1S/C16H17NO2/c1-16(19,12-5-7-13(18)8-6-12)14-9-4-11-3-2-10-17-15(11)14/h2-3,5-8,10,14,18-19H,4,9H2,1H3
InChIKeyBVAOSZWHHGGBIF-UHFFFAOYSA-N
XLogP2.72
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
trans-6-[1-Ethyl-2-(4-hydroxy-phenyl)-propyl]-pyridin-3-ol
CID 44224542
trans-6-[1-Ethyl-2-(4-hydroxy-phenyl)-butyl]-pyridin-3-ol
CID 44224544
6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol
CID 44227600

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol (CID 83075608) is 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol is CC(O)(c1ccc(O)cc1)C1CCc2cccnc21.
What is the InChIKey of 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol?
The InChIKey is BVAOSZWHHGGBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(19,12-5-7-13(18)8-6-12)14-9-4-11-3-2-10-17-15(11)14/h2-3,5-8,10,14,18-19H,4,9H2,1H3.
What are the key properties of 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol?
4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol has a molecular weight of 255.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-hydroxyethyl]phenol is sourced from PubChem (CID 83075608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).