1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid

C30H35NO3 — CID 69454986

IUPAC1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.c1ccc(C2CCCCC2)c(Oc2ccccc2C2CCCCC2)c1
InChIInChI=1S/C24H30O.C6H5NO2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)25-24-18-10-8-16-22(24)20-13-5-2-6-14-20;8-6(9)5-2-1-3-7-4-5/h7-10,15-20H,1-6,11-14H2;1-4H,(H,8,9)
InChIKeyKFTUCLLWMCIJER-UHFFFAOYSA-N
MW457.61 g/mol
LogP8.35
Rot. Bonds5

About 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid

1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid (PubChem CID 69454986) has the molecular formula C30H35NO3 and a molecular weight of 457.61 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid
PubChem CID69454986
Molecular FormulaC30H35NO3
Molecular Weight457.61 g/mol
Exact Mass457.26
IUPAC Name1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.c1ccc(C2CCCCC2)c(Oc2ccccc2C2CCCCC2)c1
InChIInChI=1S/C24H30O.C6H5NO2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)25-24-18-10-8-16-22(24)20-13-5-2-6-14-20;8-6(9)5-2-1-3-7-4-5/h7-10,15-20H,1-6,11-14H2;1-4H,(H,8,9)
InChIKeyKFTUCLLWMCIJER-UHFFFAOYSA-N
XLogP8.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.61
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclohexylphenyl) pyridine-3-carboxylate
CID 3059644
(2-phenoxyphenyl)cycloheptane
CID 56995549
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
2-(2-cyclohexylphenoxy)-1,6-naphthyridine
CID 167050185
1-cyclohexyl-2-(2-prop-1-enylphenoxy)benzene
CID 175747060
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone
CID 174749442
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid (CID 69454986) is 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid is O=C(O)c1cccnc1.c1ccc(C2CCCCC2)c(Oc2ccccc2C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid?
The InChIKey is KFTUCLLWMCIJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O.C6H5NO2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)25-24-18-10-8-16-22(24)20-13-5-2-6-14-20;8-6(9)5-2-1-3-7-4-5/h7-10,15-20H,1-6,11-14H2;1-4H,(H,8,9).
What are the key properties of 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid?
1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid has a molecular weight of 457.61 g/mol, XLogP of 8.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-cyclohexylphenoxy)benzene;pyridine-3-carboxylic acid is sourced from PubChem (CID 69454986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).