4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol

C14H14O3 — CID 22925896

IUPAC4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
SMILESCc1cc(O)c(O)cc1Cc1ccc(O)cc1
InChIInChI=1S/C14H14O3/c1-9-6-13(16)14(17)8-11(9)7-10-2-4-12(15)5-3-10/h2-6,8,15-17H,7H2,1H3
InChIKeyGWNZGWDPIMRKOP-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.70
Rot. Bonds2

About 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol

4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol (PubChem CID 22925896) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
PubChem CID22925896
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
SMILESCc1cc(O)c(O)cc1Cc1ccc(O)cc1
InChIInChI=1S/C14H14O3/c1-9-6-13(16)14(17)8-11(9)7-10-2-4-12(15)5-3-10/h2-6,8,15-17H,7H2,1H3
InChIKeyGWNZGWDPIMRKOP-UHFFFAOYSA-N
XLogP2.70
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol (CID 22925896) is 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol is Cc1cc(O)c(O)cc1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol?
The InChIKey is GWNZGWDPIMRKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9-6-13(16)14(17)8-11(9)7-10-2-4-12(15)5-3-10/h2-6,8,15-17H,7H2,1H3.
What are the key properties of 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol?
4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol has a molecular weight of 230.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol is sourced from PubChem (CID 22925896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).