4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol

C14H16O3 — CID 175024223

IUPAC4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol
SMILESCOCc1ccccc1C1=CCC(O)(O)C=C1
InChIInChI=1S/C14H16O3/c1-17-10-12-4-2-3-5-13(12)11-6-8-14(15,16)9-7-11/h2-8,15-16H,9-10H2,1H3
InChIKeyKSQNYZOVWLIEBR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds3

About 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol

4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol (PubChem CID 175024223) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol
PubChem CID175024223
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol
SMILESCOCc1ccccc1C1=CCC(O)(O)C=C1
InChIInChI=1S/C14H16O3/c1-17-10-12-4-2-3-5-13(12)11-6-8-14(15,16)9-7-11/h2-8,15-16H,9-10H2,1H3
InChIKeyKSQNYZOVWLIEBR-UHFFFAOYSA-N
XLogP1.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol (CID 175024223) is 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol is COCc1ccccc1C1=CCC(O)(O)C=C1.
What is the InChIKey of 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol?
The InChIKey is KSQNYZOVWLIEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-17-10-12-4-2-3-5-13(12)11-6-8-14(15,16)9-7-11/h2-8,15-16H,9-10H2,1H3.
What are the key properties of 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol?
4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol has a molecular weight of 232.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 175024223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).