2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol

C19H18O — CID 142206272

IUPAC2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol
SMILESC=C/C=C(\C=C)c1cc(-c2ccccc2)cc(C)c1O
InChIInChI=1S/C19H18O/c1-4-9-15(5-2)18-13-17(12-14(3)19(18)20)16-10-7-6-8-11-16/h4-13,20H,1-2H2,3H3/b15-9+
InChIKeyOLPDUGJNIVWFMD-OQLLNIDSSA-N
MW262.35 g/mol
LogP5.12
Rot. Bonds4

About 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol

2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol (PubChem CID 142206272) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol.

Molecular Properties

Compound Name2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol
PubChem CID142206272
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol
SMILESC=C/C=C(\C=C)c1cc(-c2ccccc2)cc(C)c1O
InChIInChI=1S/C19H18O/c1-4-9-15(5-2)18-13-17(12-14(3)19(18)20)16-10-7-6-8-11-16/h4-13,20H,1-2H2,3H3/b15-9+
InChIKeyOLPDUGJNIVWFMD-OQLLNIDSSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[(3E)-hexa-1,3,5-trien-3-yl]-2-hydroxy-5-phenylphenyl]-(2-hydroxy-3,5-diphenylphenyl)methyl]-4,6-diphenylphenol
CID 178165740
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
1-buta-1,3-dien-2-yl-2,3-dimethyl-5-phenylbenzene
CID 123647651
4-(3,5-diphenylphenyl)-N-[4-[3-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylphenyl]phenyl]aniline
CID 145003943
butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113
N-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 88567954
N-[4-(4-hexa-1,3,5-trien-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 123956268
N-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylaniline
CID 145280393
1-bromo-2-[(3E)-hexa-1,3,5-trien-3-yl]benzene;ethane
CID 145141149
ethane;5-[(3E)-hexa-1,3,5-trien-3-yl]-2,3-dihydroxy-6-methylcyclohepta-2,4,6-trien-1-one
CID 145367906
4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid
CID 139839153
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol?
The IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol (CID 142206272) is 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol.
What is the SMILES notation for 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol?
The canonical SMILES for 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol is C=C/C=C(\C=C)c1cc(-c2ccccc2)cc(C)c1O.
What is the InChIKey of 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol?
The InChIKey is OLPDUGJNIVWFMD-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H18O/c1-4-9-15(5-2)18-13-17(12-14(3)19(18)20)16-10-7-6-8-11-16/h4-13,20H,1-2H2,3H3/b15-9+.
What are the key properties of 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol?
2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol has a molecular weight of 262.35 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-4-phenylphenol is sourced from PubChem (CID 142206272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).