methanol;(Z)-2-phenylethenol

C10H16O3 — CID 139243443

IUPACmethanol;(Z)-2-phenylethenol
SMILESCO.CO.O/C=C\c1ccccc1
InChIInChI=1S/C8H8O.2CH4O/c9-7-6-8-4-2-1-3-5-8;2*1-2/h1-7,9H;2*2H,1H3/b7-6-;;
InChIKeyQHISBYPTLHIFFV-AQTVDGORSA-N
MW184.23 g/mol
LogP1.43
Rot. Bonds1

About methanol;(Z)-2-phenylethenol

methanol;(Z)-2-phenylethenol (PubChem CID 139243443) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methanol;(Z)-2-phenylethenol.

Molecular Properties

Compound Namemethanol;(Z)-2-phenylethenol
PubChem CID139243443
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethanol;(Z)-2-phenylethenol
SMILESCO.CO.O/C=C\c1ccccc1
InChIInChI=1S/C8H8O.2CH4O/c9-7-6-8-4-2-1-3-5-8;2*1-2/h1-7,9H;2*2H,1H3/b7-6-;;
InChIKeyQHISBYPTLHIFFV-AQTVDGORSA-N
XLogP1.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 139243443) 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.CO.O/C=C\c1ccccc1.
What is the InChIKey of methanol;(Z)-2-phenylethenol?
The InChIKey is QHISBYPTLHIFFV-AQTVDGORSA-N. The full InChI is InChI=1S/C8H8O.2CH4O/c9-7-6-8-4-2-1-3-5-8;2*1-2/h1-7,9H;2*2H,1H3/b7-6-;;.
What are the key properties of methanol;(Z)-2-phenylethenol?
methanol;(Z)-2-phenylethenol has a molecular weight of 184.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(Z)-2-phenylethenol is sourced from PubChem (CID 139243443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).