(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol

C10H12O2 — CID 131346173

IUPAC(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
SMILESC/C(CO)=C(/O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,11-12H,7H2,1H3/b10-8-
InChIKeyQDXUUQVDLNALLM-NTMALXAHSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds2

About (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol

(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol (PubChem CID 131346173) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol.

Molecular Properties

Compound Name(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
PubChem CID131346173
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol
SMILESC/C(CO)=C(/O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,11-12H,7H2,1H3/b10-8-
InChIKeyQDXUUQVDLNALLM-NTMALXAHSA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.97
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 (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol?
The IUPAC name of (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol (CID 131346173) is (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol.
What is the SMILES notation for (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol?
The canonical SMILES for (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol is C/C(CO)=C(/O)c1ccccc1.
What is the InChIKey of (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol?
The InChIKey is QDXUUQVDLNALLM-NTMALXAHSA-N. The full InChI is InChI=1S/C10H12O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,11-12H,7H2,1H3/b10-8-.
What are the key properties of (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol?
(Z)-2-methyl-1-phenylprop-1-ene-1,3-diol has a molecular weight of 164.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-1-phenylprop-1-ene-1,3-diol is sourced from PubChem (CID 131346173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).