3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol

C17H18O — CID 162361453

IUPAC3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
SMILESCc1cc(C)c(C/C=C/c2ccccc2)c(O)c1
InChIInChI=1S/C17H18O/c1-13-11-14(2)16(17(18)12-13)10-6-9-15-7-4-3-5-8-15/h3-9,11-12,18H,10H2,1-2H3/b9-6+
InChIKeyPCBBLILZIAWUIZ-RMKNXTFCSA-N
MW238.33 g/mol
LogP4.26
Rot. Bonds3

About 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol

3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol (PubChem CID 162361453) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
PubChem CID162361453
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
SMILESCc1cc(C)c(C/C=C/c2ccccc2)c(O)c1
InChIInChI=1S/C17H18O/c1-13-11-14(2)16(17(18)12-13)10-6-9-15-7-4-3-5-8-15/h3-9,11-12,18H,10H2,1-2H3/b9-6+
InChIKeyPCBBLILZIAWUIZ-RMKNXTFCSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
CID 59639128
3,5-dimethyl-2-[(E)-3-(4-nitrophenyl)prop-2-enyl]phenol
CID 162361475
5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol
CID 163442427
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215
2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 3742978
9-methyl-10-(3-phenylprop-2-enyl)anthracene
CID 156901579
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
CID 54476049
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid
CID 58146244
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol (CID 162361453) is 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol is Cc1cc(C)c(C/C=C/c2ccccc2)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol?
The InChIKey is PCBBLILZIAWUIZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18O/c1-13-11-14(2)16(17(18)12-13)10-6-9-15-7-4-3-5-8-15/h3-9,11-12,18H,10H2,1-2H3/b9-6+.
What are the key properties of 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol?
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol has a molecular weight of 238.33 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 162361453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).