methanol;(Z)-2-phenylethenol

C9H12O2 — CID 139243417

IUPACmethanol;(Z)-2-phenylethenol
SMILESCO.O/C=C\c1ccccc1
InChIInChI=1S/C8H8O.CH4O/c9-7-6-8-4-2-1-3-5-8;1-2/h1-7,9H;2H,1H3/b7-6-;
InChIKeyCKWPIFMDPVALON-NAFXZHHSSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds1

About methanol;(Z)-2-phenylethenol

methanol;(Z)-2-phenylethenol (PubChem CID 139243417) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methanol;(Z)-2-phenylethenol.

Molecular Properties

Compound Namemethanol;(Z)-2-phenylethenol
PubChem CID139243417
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethanol;(Z)-2-phenylethenol
SMILESCO.O/C=C\c1ccccc1
InChIInChI=1S/C8H8O.CH4O/c9-7-6-8-4-2-1-3-5-8;1-2/h1-7,9H;2H,1H3/b7-6-;
InChIKeyCKWPIFMDPVALON-NAFXZHHSSA-N
XLogP1.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;(Z)-2-phenylethenol?
The IUPAC name of methanol;(Z)-2-phenylethenol (CID 139243417) is methanol;(Z)-2-phenylethenol.
What is the SMILES notation for methanol;(Z)-2-phenylethenol?
The canonical SMILES for methanol;(Z)-2-phenylethenol is CO.O/C=C\c1ccccc1.
What is the InChIKey of methanol;(Z)-2-phenylethenol?
The InChIKey is CKWPIFMDPVALON-NAFXZHHSSA-N. The full InChI is InChI=1S/C8H8O.CH4O/c9-7-6-8-4-2-1-3-5-8;1-2/h1-7,9H;2H,1H3/b7-6-;.
What are the key properties of methanol;(Z)-2-phenylethenol?
methanol;(Z)-2-phenylethenol has a molecular weight of 152.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(Z)-2-phenylethenol is sourced from PubChem (CID 139243417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).