2-[(4-methoxyphenyl)methyl]benzene-1,4-diol

C14H14O3 — CID 20523970

IUPAC2-[(4-methoxyphenyl)methyl]benzene-1,4-diol
SMILESCOc1ccc(Cc2cc(O)ccc2O)cc1
InChIInChI=1S/C14H14O3/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9,15-16H,8H2,1H3
InChIKeyKYBXLWKGTICLOL-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.70
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol

2-[(4-methoxyphenyl)methyl]benzene-1,4-diol (PubChem CID 20523970) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]benzene-1,4-diol
PubChem CID20523970
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-[(4-methoxyphenyl)methyl]benzene-1,4-diol
SMILESCOc1ccc(Cc2cc(O)ccc2O)cc1
InChIInChI=1S/C14H14O3/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9,15-16H,8H2,1H3
InChIKeyKYBXLWKGTICLOL-UHFFFAOYSA-N
XLogP2.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol (CID 20523970) is 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol is COc1ccc(Cc2cc(O)ccc2O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol?
The InChIKey is KYBXLWKGTICLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9,15-16H,8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol?
2-[(4-methoxyphenyl)methyl]benzene-1,4-diol has a molecular weight of 230.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]benzene-1,4-diol is sourced from PubChem (CID 20523970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).