2-methoxyphenol;2-methylbenzene-1,4-diol

C14H16O4 — CID 161187108

IUPAC2-methoxyphenol;2-methylbenzene-1,4-diol
SMILESCOc1ccccc1O.Cc1cc(O)ccc1O
InChIInChI=1S/2C7H8O2/c1-5-4-6(8)2-3-7(5)9;1-9-7-5-3-2-4-6(7)8/h2-4,8-9H,1H3;2-5,8H,1H3
InChIKeyUTFMTZUACXQLBA-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.81
Rot. Bonds1

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

2-methoxyphenol;2-methylbenzene-1,4-diol (PubChem CID 161187108) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methoxyphenol;2-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-methoxyphenol;2-methylbenzene-1,4-diol
PubChem CID161187108
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2-methoxyphenol;2-methylbenzene-1,4-diol
SMILESCOc1ccccc1O.Cc1cc(O)ccc1O
InChIInChI=1S/2C7H8O2/c1-5-4-6(8)2-3-7(5)9;1-9-7-5-3-2-4-6(7)8/h2-4,8-9H,1H3;2-5,8H,1H3
InChIKeyUTFMTZUACXQLBA-UHFFFAOYSA-N
XLogP2.81
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 172717837
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formonitrile;2-methoxyphenol
CID 161059546
4-(2,6-dimethoxyphenyl)-3-methylphenol
CID 116811421
benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride
CID 157366045
dichlorotitanium;bis(2-methoxyphenol)
CID 164736686
CID 174763347
CID 174763347
2-methoxyphenol;oxalic acid
CID 162319729
acetic acid;2-methoxybenzene-1,4-diol
CID 70568459
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-chlorobenzene-1,4-diol;2-methylbenzene-1,4-diol
CID 157388501

Frequently Asked Questions

What is the IUPAC name of 2-methoxyphenol;2-methylbenzene-1,4-diol?
The IUPAC name of 2-methoxyphenol;2-methylbenzene-1,4-diol (CID 161187108) is 2-methoxyphenol;2-methylbenzene-1,4-diol.
What is the SMILES notation for 2-methoxyphenol;2-methylbenzene-1,4-diol?
The canonical SMILES for 2-methoxyphenol;2-methylbenzene-1,4-diol is COc1ccccc1O.Cc1cc(O)ccc1O.
What is the InChIKey of 2-methoxyphenol;2-methylbenzene-1,4-diol?
The InChIKey is UTFMTZUACXQLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O2/c1-5-4-6(8)2-3-7(5)9;1-9-7-5-3-2-4-6(7)8/h2-4,8-9H,1H3;2-5,8H,1H3.
What are the key properties of 2-methoxyphenol;2-methylbenzene-1,4-diol?
2-methoxyphenol;2-methylbenzene-1,4-diol has a molecular weight of 248.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyphenol;2-methylbenzene-1,4-diol is sourced from PubChem (CID 161187108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).