2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol

C16H16O2 — CID 14224897

IUPAC2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
SMILESCc1c(O)ccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C16H16O2/c1-12-15(17)11-10-14(16(12)18)9-5-8-13-6-3-2-4-7-13/h2-8,10-11,17-18H,9H2,1H3/b8-5+
InChIKeyCLTNDZDYLZIHQY-VMPITWQZSA-N
MW240.30 g/mol
LogP3.66
Rot. Bonds3

About 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol

2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol (PubChem CID 14224897) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
PubChem CID14224897
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
SMILESCc1c(O)ccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C16H16O2/c1-12-15(17)11-10-14(16(12)18)9-5-8-13-6-3-2-4-7-13/h2-8,10-11,17-18H,9H2,1H3/b8-5+
InChIKeyCLTNDZDYLZIHQY-VMPITWQZSA-N
XLogP3.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene-1,4-diol
CID 59639128
4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 12564792
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361461
4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone
CID 138973706
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453
2-tert-butyl-4-methyl-6-(3-phenylprop-2-enyl)phenol
CID 54476049
3-hydroxy-4-[(E)-3-phenylprop-2-enyl]benzonitrile
CID 162361494
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215
9-methyl-10-(3-phenylprop-2-enyl)anthracene
CID 156901579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol?
The IUPAC name of 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol (CID 14224897) is 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol.
What is the SMILES notation for 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol?
The canonical SMILES for 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol is Cc1c(O)ccc(C/C=C/c2ccccc2)c1O.
What is the InChIKey of 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol?
The InChIKey is CLTNDZDYLZIHQY-VMPITWQZSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-15(17)11-10-14(16(12)18)9-5-8-13-6-3-2-4-7-13/h2-8,10-11,17-18H,9H2,1H3/b8-5+.
What are the key properties of 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol?
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol has a molecular weight of 240.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol is sourced from PubChem (CID 14224897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).