4-(2,3-diethylphenyl)benzene-1,2-diol;formamide

C17H21NO3 — CID 118275219

IUPAC4-(2,3-diethylphenyl)benzene-1,2-diol;formamide
SMILESCCc1cccc(-c2ccc(O)c(O)c2)c1CC.NC=O
InChIInChI=1S/C16H18O2.CH3NO/c1-3-11-6-5-7-14(13(11)4-2)12-8-9-15(17)16(18)10-12;2-1-3/h5-10,17-18H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyVFTURYODVHOKNS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.99
Rot. Bonds3

About 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide

4-(2,3-diethylphenyl)benzene-1,2-diol;formamide (PubChem CID 118275219) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide.

Molecular Properties

Compound Name4-(2,3-diethylphenyl)benzene-1,2-diol;formamide
PubChem CID118275219
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-(2,3-diethylphenyl)benzene-1,2-diol;formamide
SMILESCCc1cccc(-c2ccc(O)c(O)c2)c1CC.NC=O
InChIInChI=1S/C16H18O2.CH3NO/c1-3-11-6-5-7-14(13(11)4-2)12-8-9-15(17)16(18)10-12;2-1-3/h5-10,17-18H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyVFTURYODVHOKNS-UHFFFAOYSA-N
XLogP2.99
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Masoprocol
CID 71398
Nordihydroguaretic acid
CID 4534
4,5-Dibenzyl-1,2-benzenediol
CID 379493
3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
CID 14396469
3,6-Bis(4-hydroxyphenyl)-4,5-dimethylbenzene-1,2-diol
CID 25191039
4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2-Methylbutyl]benzene-1,2-Diol
CID 688035
4-[4-(3,4-Dihydroxyphenyl)butyl]benzene-1,2-diol
CID 14852609
4-(4-Phenylbutyl)benzene-1,2-diol
CID 15135539
4-[4-(4-Hydroxyphenyl)hexan-3-yl]benzene-1,2-diol
CID 233716
4-[5-(3,4-Dihydroxyphenyl)pentyl]benzene-1,2-diol
CID 13241280
1,2-Benzenediol, 4,4'-[(2R,3R)-2,3-dimethyl-1,4-butanediyl]bis-
CID 688036
(5R,6R,7R)-5-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
CID 5317329

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide?
The IUPAC name of 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide (CID 118275219) is 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide.
What is the SMILES notation for 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide?
The canonical SMILES for 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide is CCc1cccc(-c2ccc(O)c(O)c2)c1CC.NC=O.
What is the InChIKey of 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide?
The InChIKey is VFTURYODVHOKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.CH3NO/c1-3-11-6-5-7-14(13(11)4-2)12-8-9-15(17)16(18)10-12;2-1-3/h5-10,17-18H,3-4H2,1-2H3;1H,(H2,2,3).
What are the key properties of 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide?
4-(2,3-diethylphenyl)benzene-1,2-diol;formamide has a molecular weight of 287.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diethylphenyl)benzene-1,2-diol;formamide is sourced from PubChem (CID 118275219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).