4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol

C31H35NO3 — CID 144792040

IUPAC4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol
SMILESCCOCCOc1cc(C)c(-c2cccc(-c3ccc4cc(CCC(C)O)ccc4n3)c2)c(C)c1
InChIInChI=1S/C31H35NO3/c1-5-34-15-16-35-28-17-21(2)31(22(3)18-28)27-8-6-7-25(20-27)30-14-12-26-19-24(10-9-23(4)33)11-13-29(26)32-30/h6-8,11-14,17-20,23,33H,5,9-10,15-16H2,1-4H3
InChIKeyDGWPYBLCRFEKEX-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.91
Rot. Bonds10

About 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol

4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol (PubChem CID 144792040) has the molecular formula C31H35NO3 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol.

Molecular Properties

Compound Name4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol
PubChem CID144792040
Molecular FormulaC31H35NO3
Molecular Weight469.63 g/mol
Exact Mass469.26
IUPAC Name4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol
SMILESCCOCCOc1cc(C)c(-c2cccc(-c3ccc4cc(CCC(C)O)ccc4n3)c2)c(C)c1
InChIInChI=1S/C31H35NO3/c1-5-34-15-16-35-28-17-21(2)31(22(3)18-28)27-8-6-7-25(20-27)30-14-12-26-19-24(10-9-23(4)33)11-13-29(26)32-30/h6-8,11-14,17-20,23,33H,5,9-10,15-16H2,1-4H3
InChIKeyDGWPYBLCRFEKEX-UHFFFAOYSA-N
XLogP6.91
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol with MolForge

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Related Compounds

ethane;fluoro 3-[2-[3-(4-hydroxy-2,6-dimethylphenyl)phenyl]quinolin-6-yl]propanoate
CID 144792071
2-(4-decoxyphenyl)-6-octylquinoline
CID 67893738
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
ethyl 3-[4-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methylamino]phenyl]-2,2-difluoropropanoate
CID 23157621
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol
CID 23147308
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
6-(2-ethoxyethoxy)-2-(2-methoxy-4-pyridinyl)-4-methylquinoline
CID 169414076
2-(3-methylphenyl)-7-propylquinoline
CID 157170662
5-[4-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]phenyl]-2,3-dihydro-1,2-thiazole
CID 140674519
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol?
The IUPAC name of 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol (CID 144792040) is 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol.
What is the SMILES notation for 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol?
The canonical SMILES for 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol is CCOCCOc1cc(C)c(-c2cccc(-c3ccc4cc(CCC(C)O)ccc4n3)c2)c(C)c1.
What is the InChIKey of 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol?
The InChIKey is DGWPYBLCRFEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO3/c1-5-34-15-16-35-28-17-21(2)31(22(3)18-28)27-8-6-7-25(20-27)30-14-12-26-19-24(10-9-23(4)33)11-13-29(26)32-30/h6-8,11-14,17-20,23,33H,5,9-10,15-16H2,1-4H3.
What are the key properties of 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol?
4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol has a molecular weight of 469.63 g/mol, XLogP of 6.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]quinolin-6-yl]butan-2-ol is sourced from PubChem (CID 144792040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).