2-methyl-5-(2-phenylethenyl)benzene-1,3-diol

C15H14O2 — CID 68629496

IUPAC2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
SMILESCc1c(O)cc(C=Cc2ccccc2)cc1O
InChIInChI=1S/C15H14O2/c1-11-14(16)9-13(10-15(11)17)8-7-12-5-3-2-4-6-12/h2-10,16-17H,1H3
InChIKeyOCNRSGCLTQHHRD-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.58
Rot. Bonds2

About 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol

2-methyl-5-(2-phenylethenyl)benzene-1,3-diol (PubChem CID 68629496) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
PubChem CID68629496
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
SMILESCc1c(O)cc(C=Cc2ccccc2)cc1O
InChIInChI=1S/C15H14O2/c1-11-14(16)9-13(10-15(11)17)8-7-12-5-3-2-4-6-12/h2-10,16-17H,1H3
InChIKeyOCNRSGCLTQHHRD-UHFFFAOYSA-N
XLogP3.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 176681357
5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol
CID 101451865
5-(2-phenylethenyl)-2-tetradecylbenzene-1,3-diol
CID 66842936
2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol
CID 74402961
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
CID 6071425
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488581
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
2-chloro-5-(2-phenylethenyl)phenol
CID 174326276
2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
CID 166844983
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol?
The IUPAC name of 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol (CID 68629496) is 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol.
What is the SMILES notation for 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol?
The canonical SMILES for 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol is Cc1c(O)cc(C=Cc2ccccc2)cc1O.
What is the InChIKey of 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol?
The InChIKey is OCNRSGCLTQHHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-14(16)9-13(10-15(11)17)8-7-12-5-3-2-4-6-12/h2-10,16-17H,1H3.
What are the key properties of 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol?
2-methyl-5-(2-phenylethenyl)benzene-1,3-diol has a molecular weight of 226.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenylethenyl)benzene-1,3-diol is sourced from PubChem (CID 68629496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).