2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol

C31H33NO — CID 143485629

IUPAC2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol
SMILESCCc1ccc2ccc(/C=C/c3cccc(CCCc4ccccc4C(C)(C)O)c3)nc2c1
InChIInChI=1S/C31H33NO/c1-4-23-15-17-27-18-20-28(32-30(27)22-23)19-16-25-10-7-9-24(21-25)11-8-13-26-12-5-6-14-29(26)31(2,3)33/h5-7,9-10,12,14-22,33H,4,8,11,13H2,1-3H3/b19-16+
InChIKeyTUZNWZMFOGRWFU-KNTRCKAVSA-N
MW435.61 g/mol
LogP7.37
Rot. Bonds8

About 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol

2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol (PubChem CID 143485629) has the molecular formula C31H33NO and a molecular weight of 435.61 g/mol. Its IUPAC name is 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol
PubChem CID143485629
Molecular FormulaC31H33NO
Molecular Weight435.61 g/mol
Exact Mass435.26
IUPAC Name2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol
SMILESCCc1ccc2ccc(/C=C/c3cccc(CCCc4ccccc4C(C)(C)O)c3)nc2c1
InChIInChI=1S/C31H33NO/c1-4-23-15-17-27-18-20-28(32-30(27)22-23)19-16-25-10-7-9-24(21-25)11-8-13-26-12-5-6-14-29(26)31(2,3)33/h5-7,9-10,12,14-22,33H,4,8,11,13H2,1-3H3/b19-16+
InChIKeyTUZNWZMFOGRWFU-KNTRCKAVSA-N
XLogP7.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol with MolForge

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Related Compounds

ethane;2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;propane
CID 143485628
[1-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl] methanesulfonate
CID 143243302
2-[2-[3-[3-[(E)-2-(7-methylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;methyl 2-[1-(sulfanylmethyl)cyclopropyl]acetate
CID 143388517
2-[2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol;methyl 2-[1-(sulfanylmethyl)cyclopropyl]acetate
CID 143128470
7-chloro-2-[(E)-2-[3-[3-[2-[2-(oxan-2-yloxy)propan-2-yl]phenyl]propyl]phenyl]ethenyl]quinoline
CID 89064943
2-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol
CID 5311297
2-[2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-methoxypropyl]phenyl]propan-2-ol
CID 58339727
(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-5-[2-(2-hydroxypropan-2-yl)phenyl]pentanoic acid
CID 67017830
1-[3-[2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol
CID 56977613
(1S)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-methylsulfonylpropan-1-ol
CID 66843336
ethanethioic S-acid;methyl 2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]benzoate
CID 143462009
ethane;methanethiol;methyl 2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]benzoate
CID 143462008

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol (CID 143485629) is 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol is CCc1ccc2ccc(/C=C/c3cccc(CCCc4ccccc4C(C)(C)O)c3)nc2c1.
What is the InChIKey of 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol?
The InChIKey is TUZNWZMFOGRWFU-KNTRCKAVSA-N. The full InChI is InChI=1S/C31H33NO/c1-4-23-15-17-27-18-20-28(32-30(27)22-23)19-16-25-10-7-9-24(21-25)11-8-13-26-12-5-6-14-29(26)31(2,3)33/h5-7,9-10,12,14-22,33H,4,8,11,13H2,1-3H3/b19-16+.
What are the key properties of 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol?
2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol has a molecular weight of 435.61 g/mol, XLogP of 7.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-[(E)-2-(7-ethylquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]propan-2-ol is sourced from PubChem (CID 143485629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).