4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol

C14H14O3 — CID 101303074

IUPAC4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1c(O)cccc1-c1ccc(O)c(O)c1
InChIInChI=1S/C14H14O3/c1-2-10-11(4-3-5-12(10)15)9-6-7-13(16)14(17)8-9/h3-8,15-17H,2H2,1H3
InChIKeyCDUCYYVTZJUGMH-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.03
Rot. Bonds2

About 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol

4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol (PubChem CID 101303074) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol
PubChem CID101303074
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol
SMILESCCc1c(O)cccc1-c1ccc(O)c(O)c1
InChIInChI=1S/C14H14O3/c1-2-10-11(4-3-5-12(10)15)9-6-7-13(16)14(17)8-9/h3-8,15-17H,2H2,1H3
InChIKeyCDUCYYVTZJUGMH-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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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Related Compounds

4-(2,3-diethylphenyl)benzene-1,2-diol;formamide
CID 118275219
2-ethyl-3-phenylphenol;formaldehyde
CID 175490561
2,3-diethyl-4-(3-ethylphenyl)phenol
CID 101302434
3-ethyl-2-(2-ethyl-3-hydroxyphenyl)phenol
CID 101302719
3-(2,3-diethylphenyl)phenol
CID 101302379
3-(3,4-diethylphenyl)benzene-1,2-diol
CID 101302625
1-[2-(4-ethylphenyl)-6-hydroxyphenyl]propan-2-one
CID 174905893
3-(2,6-diethyl-3-hydroxyphenyl)benzene-1,2-diol
CID 101303216
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846
2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 154338119
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol?
The IUPAC name of 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol (CID 101303074) is 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol?
The canonical SMILES for 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol is CCc1c(O)cccc1-c1ccc(O)c(O)c1.
What is the InChIKey of 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol?
The InChIKey is CDUCYYVTZJUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-2-10-11(4-3-5-12(10)15)9-6-7-13(16)14(17)8-9/h3-8,15-17H,2H2,1H3.
What are the key properties of 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol?
4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol has a molecular weight of 230.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3-hydroxyphenyl)benzene-1,2-diol is sourced from PubChem (CID 101303074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).