formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole

C20H24N2O3 — CID 6455595

IUPACformaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole
SMILESC=O.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1ncc[nH]1
InChIInChI=1S/C15H16O2.C4H6N2.CH2O/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-4-5-2-3-6-4;1-2/h3-10,16-17H,1-2H3;2-3H,1H3,(H,5,6);1H2
InChIKeyMIARRBCGDNVOLS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.96
Rot. Bonds2

About formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole

formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole (PubChem CID 6455595) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole.

Molecular Properties

Compound Nameformaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole
PubChem CID6455595
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameformaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole
SMILESC=O.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1ncc[nH]1
InChIInChI=1S/C15H16O2.C4H6N2.CH2O/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-4-5-2-3-6-4;1-2/h3-10,16-17H,1-2H3;2-3H,1H3,(H,5,6);1H2
InChIKeyMIARRBCGDNVOLS-UHFFFAOYSA-N
XLogP3.96
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole?
The IUPAC name of formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole (CID 6455595) is formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole.
What is the SMILES notation for formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole?
The canonical SMILES for formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole is C=O.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1ncc[nH]1.
What is the InChIKey of formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole?
The InChIKey is MIARRBCGDNVOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C4H6N2.CH2O/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-4-5-2-3-6-4;1-2/h3-10,16-17H,1-2H3;2-3H,1H3,(H,5,6);1H2.
What are the key properties of formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole?
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole has a molecular weight of 340.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-methyl-1H-imidazole is sourced from PubChem (CID 6455595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).