acetylene;3-phenylbenzene-1,2-diol

C14H12O2 — CID 70170334

IUPACacetylene;3-phenylbenzene-1,2-diol
SMILESC#C.Oc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C12H10O2.C2H2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2/h1-8,13-14H;1-2H
InChIKeyNBZCVKDFCCJTAB-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.01
Rot. Bonds1

About acetylene;3-phenylbenzene-1,2-diol

acetylene;3-phenylbenzene-1,2-diol (PubChem CID 70170334) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is acetylene;3-phenylbenzene-1,2-diol.

Molecular Properties

Compound Nameacetylene;3-phenylbenzene-1,2-diol
PubChem CID70170334
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Nameacetylene;3-phenylbenzene-1,2-diol
SMILESC#C.Oc1cccc(-c2ccccc2)c1O
InChIInChI=1S/C12H10O2.C2H2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2/h1-8,13-14H;1-2H
InChIKeyNBZCVKDFCCJTAB-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;3-phenylbenzene-1,2-diol?
The IUPAC name of acetylene;3-phenylbenzene-1,2-diol (CID 70170334) is acetylene;3-phenylbenzene-1,2-diol.
What is the SMILES notation for acetylene;3-phenylbenzene-1,2-diol?
The canonical SMILES for acetylene;3-phenylbenzene-1,2-diol is C#C.Oc1cccc(-c2ccccc2)c1O.
What is the InChIKey of acetylene;3-phenylbenzene-1,2-diol?
The InChIKey is NBZCVKDFCCJTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C2H2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;1-2/h1-8,13-14H;1-2H.
What are the key properties of acetylene;3-phenylbenzene-1,2-diol?
acetylene;3-phenylbenzene-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-phenylbenzene-1,2-diol is sourced from PubChem (CID 70170334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).