4-tert-butyl-2-propan-2-ylphenol;formaldehyde

C14H22O2 — CID 174874962

IUPAC4-tert-butyl-2-propan-2-ylphenol;formaldehyde
SMILESC=O.CC(C)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C13H20O.CH2O/c1-9(2)11-8-10(13(3,4)5)6-7-12(11)14;1-2/h6-9,14H,1-5H3;1H2
InChIKeyRHARITAMPFWZFC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.63
Rot. Bonds1

About 4-tert-butyl-2-propan-2-ylphenol;formaldehyde

4-tert-butyl-2-propan-2-ylphenol;formaldehyde (PubChem CID 174874962) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-tert-butyl-2-propan-2-ylphenol;formaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2-propan-2-ylphenol;formaldehyde
PubChem CID174874962
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-tert-butyl-2-propan-2-ylphenol;formaldehyde
SMILESC=O.CC(C)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C13H20O.CH2O/c1-9(2)11-8-10(13(3,4)5)6-7-12(11)14;1-2/h6-9,14H,1-5H3;1H2
InChIKeyRHARITAMPFWZFC-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 18943218
4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol
CID 23082212
4-[2-(4-hydroxy-2-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 58904157
2,5-dihydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 586439
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid
CID 175095952
2,4-di(propan-2-yl)phenol
CID 18048
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
4-[2-(4-hydroxy-3-phenylphenyl)-5,5-bis(4-hydroxy-3-propan-2-ylphenyl)hexan-2-yl]-2-phenylphenol
CID 135160125
4-[1-[2-hydroxy-5-[2-[4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]-2,2-dimethylpropyl]benzaldehyde
CID 145403608

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-propan-2-ylphenol;formaldehyde?
The IUPAC name of 4-tert-butyl-2-propan-2-ylphenol;formaldehyde (CID 174874962) is 4-tert-butyl-2-propan-2-ylphenol;formaldehyde.
What is the SMILES notation for 4-tert-butyl-2-propan-2-ylphenol;formaldehyde?
The canonical SMILES for 4-tert-butyl-2-propan-2-ylphenol;formaldehyde is C=O.CC(C)c1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 4-tert-butyl-2-propan-2-ylphenol;formaldehyde?
The InChIKey is RHARITAMPFWZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.CH2O/c1-9(2)11-8-10(13(3,4)5)6-7-12(11)14;1-2/h6-9,14H,1-5H3;1H2.
What are the key properties of 4-tert-butyl-2-propan-2-ylphenol;formaldehyde?
4-tert-butyl-2-propan-2-ylphenol;formaldehyde has a molecular weight of 222.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-propan-2-ylphenol;formaldehyde is sourced from PubChem (CID 174874962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).