phenyl(prop-2-enoxy)methanol

C10H12O2 — CID 53447320

IUPACphenyl(prop-2-enoxy)methanol
SMILESC=CCOC(O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2
InChIKeyHNJPKVBCIQOSKB-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.88
Rot. Bonds4

About phenyl(prop-2-enoxy)methanol

phenyl(prop-2-enoxy)methanol (PubChem CID 53447320) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is phenyl(prop-2-enoxy)methanol.

Molecular Properties

Compound Namephenyl(prop-2-enoxy)methanol
PubChem CID53447320
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namephenyl(prop-2-enoxy)methanol
SMILESC=CCOC(O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2
InChIKeyHNJPKVBCIQOSKB-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl(prop-2-enoxy)methanol?
The IUPAC name of phenyl(prop-2-enoxy)methanol (CID 53447320) is phenyl(prop-2-enoxy)methanol.
What is the SMILES notation for phenyl(prop-2-enoxy)methanol?
The canonical SMILES for phenyl(prop-2-enoxy)methanol is C=CCOC(O)c1ccccc1.
What is the InChIKey of phenyl(prop-2-enoxy)methanol?
The InChIKey is HNJPKVBCIQOSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2.
What are the key properties of phenyl(prop-2-enoxy)methanol?
phenyl(prop-2-enoxy)methanol has a molecular weight of 164.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(prop-2-enoxy)methanol is sourced from PubChem (CID 53447320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).