2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol

C24H31NO2 — CID 44522939

IUPAC2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol
SMILESCCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1ccncc1
InChIInChI=1S/C24H31NO2/c1-5-6-7-8-9-17(2)19-14-21(26)23-20(18-10-12-25-13-11-18)16-24(3,4)27-22(23)15-19/h10-17,26H,5-9H2,1-4H3
InChIKeyOEPFQUBYNBPKEK-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.46
Rot. Bonds7

About 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol

2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol (PubChem CID 44522939) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol
PubChem CID44522939
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol
SMILESCCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1ccncc1
InChIInChI=1S/C24H31NO2/c1-5-6-7-8-9-17(2)19-14-21(26)23-20(18-10-12-25-13-11-18)16-24(3,4)27-22(23)15-19/h10-17,26H,5-9H2,1-4H3
InChIKeyOEPFQUBYNBPKEK-UHFFFAOYSA-N
XLogP6.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol with MolForge

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Launch Full Analysis

Related Compounds

4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-heptan-2-yl-2,2-dimethylchromen-5-ol
CID 44522573
7-heptan-2-yl-4,4-dimethyl-1,2-dihydrothieno[2,3-c]chromen-9-ol
CID 21433925
3-tert-butyl-2-(2-tert-butyl-6-hydroxy-4-octan-2-ylphenyl)-5-octan-2-ylphenol
CID 67350997
5,5-dimethyl-8-nonan-2-yl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
CID 22973435
5-nonan-2-ylbenzene-1,3-diol
CID 15347172
8-heptan-2-yl-N',10-dihydroxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridine-2-carboximidamide
CID 54128241
5-hydroxy-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-2-one
CID 13308909
1-pyridin-4-yltridecan-1-ol
CID 63410309
1-pyridin-4-ylnonan-1-amine
CID 62600271
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
3-pentadecan-2-ylphenol
CID 57199867
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol?
The IUPAC name of 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol (CID 44522939) is 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol.
What is the SMILES notation for 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol?
The canonical SMILES for 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol is CCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1ccncc1.
What is the InChIKey of 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol?
The InChIKey is OEPFQUBYNBPKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-5-6-7-8-9-17(2)19-14-21(26)23-20(18-10-12-25-13-11-18)16-24(3,4)27-22(23)15-19/h10-17,26H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol?
2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol has a molecular weight of 365.52 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-octan-2-yl-4-pyridin-4-ylchromen-5-ol is sourced from PubChem (CID 44522939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).