4-[2,6-bis(2-phenylethenyl)nonyl]phenol

C31H36O — CID 57293766

IUPAC4-[2,6-bis(2-phenylethenyl)nonyl]phenol
SMILESCCCC(C=Cc1ccccc1)CCCC(C=Cc1ccccc1)Cc1ccc(O)cc1
InChIInChI=1S/C31H36O/c1-2-10-26(17-18-27-11-5-3-6-12-27)15-9-16-29(20-19-28-13-7-4-8-14-28)25-30-21-23-31(32)24-22-30/h3-8,11-14,17-24,26,29,32H,2,9-10,15-16,25H2,1H3
InChIKeyYBSMYPNQMWNAHD-UHFFFAOYSA-N
MW424.63 g/mol
LogP8.56
Rot. Bonds12

About 4-[2,6-bis(2-phenylethenyl)nonyl]phenol

4-[2,6-bis(2-phenylethenyl)nonyl]phenol (PubChem CID 57293766) has the molecular formula C31H36O and a molecular weight of 424.63 g/mol. Its IUPAC name is 4-[2,6-bis(2-phenylethenyl)nonyl]phenol.

Molecular Properties

Compound Name4-[2,6-bis(2-phenylethenyl)nonyl]phenol
PubChem CID57293766
Molecular FormulaC31H36O
Molecular Weight424.63 g/mol
Exact Mass424.28
IUPAC Name4-[2,6-bis(2-phenylethenyl)nonyl]phenol
SMILESCCCC(C=Cc1ccccc1)CCCC(C=Cc1ccccc1)Cc1ccc(O)cc1
InChIInChI=1S/C31H36O/c1-2-10-26(17-18-27-11-5-3-6-12-27)15-9-16-29(20-19-28-13-7-4-8-14-28)25-30-21-23-31(32)24-22-30/h3-8,11-14,17-24,26,29,32H,2,9-10,15-16,25H2,1H3
InChIKeyYBSMYPNQMWNAHD-UHFFFAOYSA-N
XLogP8.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(bromomethyl)hex-1-enylbenzene
CID 91228511
4-(2,6-dibromononyl)phenol
CID 14832357
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
4-[(2S)-2-[[(2S)-2-aminohexyl]amino]-3-[[(3S)-5-methyl-1-phenylhex-1-en-3-yl]amino]propyl]phenol;trihydrochloride
CID 70288991
(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one
CID 163942767
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
[(E)-3-(nitromethyl)hept-1-enyl]benzene
CID 134966329
4-(2-butylheptyl)phenol
CID 118370129
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
4-(2-butyltetradecyl)phenol
CID 70630098
4-(2-phenylethenyl)phenol
CID 157400568

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(2-phenylethenyl)nonyl]phenol?
The IUPAC name of 4-[2,6-bis(2-phenylethenyl)nonyl]phenol (CID 57293766) is 4-[2,6-bis(2-phenylethenyl)nonyl]phenol.
What is the SMILES notation for 4-[2,6-bis(2-phenylethenyl)nonyl]phenol?
The canonical SMILES for 4-[2,6-bis(2-phenylethenyl)nonyl]phenol is CCCC(C=Cc1ccccc1)CCCC(C=Cc1ccccc1)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2,6-bis(2-phenylethenyl)nonyl]phenol?
The InChIKey is YBSMYPNQMWNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36O/c1-2-10-26(17-18-27-11-5-3-6-12-27)15-9-16-29(20-19-28-13-7-4-8-14-28)25-30-21-23-31(32)24-22-30/h3-8,11-14,17-24,26,29,32H,2,9-10,15-16,25H2,1H3.
What are the key properties of 4-[2,6-bis(2-phenylethenyl)nonyl]phenol?
4-[2,6-bis(2-phenylethenyl)nonyl]phenol has a molecular weight of 424.63 g/mol, XLogP of 8.56, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(2-phenylethenyl)nonyl]phenol is sourced from PubChem (CID 57293766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).