4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol

C34H36O2 — CID 76584556

IUPAC4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol
SMILESCC(C=CC=C(C)C=Cc1ccc(O)cc1)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(O)cc1
InChIInChI=1S/C34H36O2/c1-27(11-7-13-29(3)15-17-31-19-23-33(35)24-20-31)9-5-6-10-28(2)12-8-14-30(4)16-18-32-21-25-34(36)26-22-32/h5-26,35-36H,1-4H3
InChIKeyKJQWMNWCYDZEBB-UHFFFAOYSA-N
MW476.66 g/mol
LogP9.28
Rot. Bonds10

About 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol

4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol (PubChem CID 76584556) has the molecular formula C34H36O2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol.

Molecular Properties

Compound Name4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol
PubChem CID76584556
Molecular FormulaC34H36O2
Molecular Weight476.66 g/mol
Exact Mass476.27
IUPAC Name4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol
SMILESCC(C=CC=C(C)C=Cc1ccc(O)cc1)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(O)cc1
InChIInChI=1S/C34H36O2/c1-27(11-7-13-29(3)15-17-31-19-23-33(35)24-20-31)9-5-6-10-28(2)12-8-14-30(4)16-18-32-21-25-34(36)26-22-32/h5-26,35-36H,1-4H3
InChIKeyKJQWMNWCYDZEBB-UHFFFAOYSA-N
XLogP9.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 59.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[3,7,12,16-tetramethyl-18-(4-methylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene
CID 153329326
4-[18-(3,4-dihydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene-1,2-diol
CID 76584559
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
(2E)-9-[4-(dimethylamino)phenyl]-3,7-dimethylnona-2,4,6,8-tetraenal
CID 173304585
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-5,9,14,18-tetramethyl-22-[4-(sulfanylmethyl)phenyl]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]phenyl]methanethiol
CID 102207836
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
4-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]phenol
CID 144837467
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519
4-[(1E,3E,5Z)-4-hydroxyhepta-1,3,5-trienyl]phenol
CID 88956129

Frequently Asked Questions

What is the IUPAC name of 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol?
The IUPAC name of 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol (CID 76584556) is 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol.
What is the SMILES notation for 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol?
The canonical SMILES for 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol is CC(C=CC=C(C)C=Cc1ccc(O)cc1)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(O)cc1.
What is the InChIKey of 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol?
The InChIKey is KJQWMNWCYDZEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O2/c1-27(11-7-13-29(3)15-17-31-19-23-33(35)24-20-31)9-5-6-10-28(2)12-8-14-30(4)16-18-32-21-25-34(36)26-22-32/h5-26,35-36H,1-4H3.
What are the key properties of 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol?
4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol has a molecular weight of 476.66 g/mol, XLogP of 9.28, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[18-(4-hydroxyphenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol is sourced from PubChem (CID 76584556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).