4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol

C23H25NO — CID 143230203

IUPAC4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol
SMILESC/C=C\C(=C/C=C/C/C(C)=C(/N)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H25NO/c1-3-9-19(20-11-5-4-6-12-20)13-8-7-10-18(2)23(24)21-14-16-22(25)17-15-21/h3-9,11-17,25H,10,24H2,1-2H3/b8-7+,9-3-,19-13+,23-18+
InChIKeyBUMYWFPDXXLHNY-YBYONNBXSA-N
MW331.46 g/mol
LogP5.69
Rot. Bonds6

About 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol

4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol (PubChem CID 143230203) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol.

Molecular Properties

Compound Name4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol
PubChem CID143230203
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol
SMILESC/C=C\C(=C/C=C/C/C(C)=C(/N)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H25NO/c1-3-9-19(20-11-5-4-6-12-20)13-8-7-10-18(2)23(24)21-14-16-22(25)17-15-21/h3-9,11-17,25H,10,24H2,1-2H3/b8-7+,9-3-,19-13+,23-18+
InChIKeyBUMYWFPDXXLHNY-YBYONNBXSA-N
XLogP5.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol with MolForge

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Related Compounds

N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine
CID 129146030
4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
CID 126711831
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
4,9-diphenylundeca-2,4,7,9-tetraen-2-amine
CID 123327967
(2Z,4E,7Z,9E)-4,9-diphenylundeca-2,4,7,9-tetraen-2-amine
CID 88551372
[(1Z,3Z,5Z)-1-bromohepta-1,3,5-trien-2-yl]benzene
CID 126693561
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
CID 100974520
ethane;methanol;[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
CID 145162668
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
benzoic acid;4-but-2-en-2-ylphenol
CID 71383513

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol?
The IUPAC name of 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol (CID 143230203) is 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol.
What is the SMILES notation for 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol?
The canonical SMILES for 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol is C/C=C\C(=C/C=C/C/C(C)=C(/N)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol?
The InChIKey is BUMYWFPDXXLHNY-YBYONNBXSA-N. The full InChI is InChI=1S/C23H25NO/c1-3-9-19(20-11-5-4-6-12-20)13-8-7-10-18(2)23(24)21-14-16-22(25)17-15-21/h3-9,11-17,25H,10,24H2,1-2H3/b8-7+,9-3-,19-13+,23-18+.
What are the key properties of 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol?
4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol has a molecular weight of 331.46 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,4E,6E,8Z)-1-amino-2-methyl-7-phenyldeca-1,4,6,8-tetraenyl]phenol is sourced from PubChem (CID 143230203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).