2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride

C16H18ClNO2 — CID 68799721

IUPAC2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride
SMILESCC(C)c1c(O)cc(C=Cc2ccccn2)cc1O.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-11(2)16-14(18)9-12(10-15(16)19)6-7-13-5-3-4-8-17-13;/h3-11,18-19H,1-2H3;1H
InChIKeyRRVZAYRNNVRNQV-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.21
Rot. Bonds3

About 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride

2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride (PubChem CID 68799721) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride
PubChem CID68799721
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride
SMILESCC(C)c1c(O)cc(C=Cc2ccccn2)cc1O.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-11(2)16-14(18)9-12(10-15(16)19)6-7-13-5-3-4-8-17-13;/h3-11,18-19H,1-2H3;1H
InChIKeyRRVZAYRNNVRNQV-UHFFFAOYSA-N
XLogP4.21
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine;hydrochloride
CID 141048759
ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 176681357
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
2-propan-2-yl-5-(2-quinolin-2-ylethenyl)benzene-1,3-diol
CID 175134367
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol
CID 165177484
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488581
2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol
CID 173388059
4-(2-pyridin-2-ylethenyl)phenol
CID 4736878
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
3-hydroxysulfanyloxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenol
CID 167457311
[3-hydroxy-5-(2-phenylethenyl)-2-propan-2-ylphenyl] hydrogen sulfate
CID 171323387

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride?
The IUPAC name of 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride (CID 68799721) is 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride?
The canonical SMILES for 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride is CC(C)c1c(O)cc(C=Cc2ccccn2)cc1O.Cl.
What is the InChIKey of 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride?
The InChIKey is RRVZAYRNNVRNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c1-11(2)16-14(18)9-12(10-15(16)19)6-7-13-5-3-4-8-17-13;/h3-11,18-19H,1-2H3;1H.
What are the key properties of 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride?
2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2-pyridin-2-ylethenyl)benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 68799721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).