5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol

C23H22O2 — CID 163442427

IUPAC5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol
SMILESCc1cc(O)c(C/C=C/c2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22O2/c1-18-15-22(24)21(14-8-13-19-9-4-2-5-10-19)23(16-18)25-17-20-11-6-3-7-12-20/h2-13,15-16,24H,14,17H2,1H3/b13-8+
InChIKeyAZQKWOFQIHXQKZ-MDWZMJQESA-N
MW330.43 g/mol
LogP5.54
Rot. Bonds6

About 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol

5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol (PubChem CID 163442427) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol
PubChem CID163442427
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol
SMILESCc1cc(O)c(C/C=C/c2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22O2/c1-18-15-22(24)21(14-8-13-19-9-4-2-5-10-19)23(16-18)25-17-20-11-6-3-7-12-20/h2-13,15-16,24H,14,17H2,1H3/b13-8+
InChIKeyAZQKWOFQIHXQKZ-MDWZMJQESA-N
XLogP5.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
CID 59639128
silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate
CID 10722368
4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-methyl-1-phenylmethoxybenzene
CID 89319080
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
5-methyl-2-[(3-methylphenyl)methoxy]phenol
CID 82051938
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid
CID 58146244
(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
CID 11775336
5-methyl-2-(2-phenylethenyl)-4-phenylmethoxypyridine
CID 54482733
2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
CID 54476049
tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 89404905

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol (CID 163442427) is 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol is Cc1cc(O)c(C/C=C/c2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol?
The InChIKey is AZQKWOFQIHXQKZ-MDWZMJQESA-N. The full InChI is InChI=1S/C23H22O2/c1-18-15-22(24)21(14-8-13-19-9-4-2-5-10-19)23(16-18)25-17-20-11-6-3-7-12-20/h2-13,15-16,24H,14,17H2,1H3/b13-8+.
What are the key properties of 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol?
5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol has a molecular weight of 330.43 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 163442427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).