benzene-1,2-diol;4-methoxyphenol

C13H14O4 — CID 70292826

IUPACbenzene-1,2-diol;4-methoxyphenol
SMILESCOc1ccc(O)cc1.Oc1ccccc1O
InChIInChI=1S/C7H8O2.C6H6O2/c1-9-7-4-2-6(8)3-5-7;7-5-3-1-2-4-6(5)8/h2-5,8H,1H3;1-4,7-8H
InChIKeyKXCHGYVTANEYBB-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.50
Rot. Bonds1

About benzene-1,2-diol;4-methoxyphenol

benzene-1,2-diol;4-methoxyphenol (PubChem CID 70292826) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is benzene-1,2-diol;4-methoxyphenol.

Molecular Properties

Compound Namebenzene-1,2-diol;4-methoxyphenol
PubChem CID70292826
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Namebenzene-1,2-diol;4-methoxyphenol
SMILESCOc1ccc(O)cc1.Oc1ccccc1O
InChIInChI=1S/C7H8O2.C6H6O2/c1-9-7-4-2-6(8)3-5-7;7-5-3-1-2-4-6(5)8/h2-5,8H,1H3;1-4,7-8H
InChIKeyKXCHGYVTANEYBB-UHFFFAOYSA-N
XLogP2.50
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethane;4-(4-methoxyphenyl)phenol
CID 161219857
4-methoxyphenol;4-methylphenol
CID 158312507
1-methoxy-4-methylbenzene;phenol
CID 167630836
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
cyanic acid;4-methoxyphenol
CID 172812844
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039
anisole;ethane;iodomethane;phenol
CID 143200210
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;4-methoxyphenol?
The IUPAC name of benzene-1,2-diol;4-methoxyphenol (CID 70292826) is benzene-1,2-diol;4-methoxyphenol.
What is the SMILES notation for benzene-1,2-diol;4-methoxyphenol?
The canonical SMILES for benzene-1,2-diol;4-methoxyphenol is COc1ccc(O)cc1.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;4-methoxyphenol?
The InChIKey is KXCHGYVTANEYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C6H6O2/c1-9-7-4-2-6(8)3-5-7;7-5-3-1-2-4-6(5)8/h2-5,8H,1H3;1-4,7-8H.
What are the key properties of benzene-1,2-diol;4-methoxyphenol?
benzene-1,2-diol;4-methoxyphenol has a molecular weight of 234.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;4-methoxyphenol is sourced from PubChem (CID 70292826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).