2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol

C19H19NO2 — CID 2104010

IUPAC2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol
SMILESCc1c(C)c(O)c(Cc2ccc3ccccc3n2)c(C)c1O
InChIInChI=1S/C19H19NO2/c1-11-12(2)19(22)16(13(3)18(11)21)10-15-9-8-14-6-4-5-7-17(14)20-15/h4-9,21-22H,10H2,1-3H3
InChIKeyDPUDNBLCRWZWGW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.16
Rot. Bonds2

About 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol

2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol (PubChem CID 2104010) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol
PubChem CID2104010
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol
SMILESCc1c(C)c(O)c(Cc2ccc3ccccc3n2)c(C)c1O
InChIInChI=1S/C19H19NO2/c1-11-12(2)19(22)16(13(3)18(11)21)10-15-9-8-14-6-4-5-7-17(14)20-15/h4-9,21-22H,10H2,1-3H3
InChIKeyDPUDNBLCRWZWGW-UHFFFAOYSA-N
XLogP4.16
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
2-[(3-methylphenyl)methyl]quinoline
CID 91665483
3-fluoro-4-(quinolin-2-ylmethyl)phenol
CID 83129838
CID 89210421
CID 89210421
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(iodomethyl)quinoline
CID 19432604
2-[2-(2-methylnaphthalen-1-yl)ethyl]quinoline
CID 57166533
2-methyl-6-propyl-3-(quinolin-2-ylmethoxy)phenol
CID 57174515
5-methyl-2-(quinolin-2-ylmethyl)benzoic acid
CID 81111502
sodium 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetate
CID 24743480
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol?
The IUPAC name of 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol (CID 2104010) is 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol.
What is the SMILES notation for 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol?
The canonical SMILES for 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol is Cc1c(C)c(O)c(Cc2ccc3ccccc3n2)c(C)c1O.
What is the InChIKey of 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol?
The InChIKey is DPUDNBLCRWZWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-11-12(2)19(22)16(13(3)18(11)21)10-15-9-8-14-6-4-5-7-17(14)20-15/h4-9,21-22H,10H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol?
2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol has a molecular weight of 293.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-(quinolin-2-ylmethyl)benzene-1,4-diol is sourced from PubChem (CID 2104010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).