2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol

C19H23NO2 — CID 146474136

IUPAC2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1ccc(O)c(-c2cc(NC(C)(C)C)ccc2O)c1
InChIInChI=1S/C19H23NO2/c1-5-6-13-7-9-17(21)15(11-13)16-12-14(8-10-18(16)22)20-19(2,3)4/h5-12,20-22H,1-4H3/b6-5+
InChIKeyJPEKBVRBZIKWET-AATRIKPKSA-N
MW297.40 g/mol
LogP5.01
Rot. Bonds3

About 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol

2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol (PubChem CID 146474136) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol.

Molecular Properties

Compound Name2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol
PubChem CID146474136
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1ccc(O)c(-c2cc(NC(C)(C)C)ccc2O)c1
InChIInChI=1S/C19H23NO2/c1-5-6-13-7-9-17(21)15(11-13)16-12-14(8-10-18(16)22)20-19(2,3)4/h5-12,20-22H,1-4H3/b6-5+
InChIKeyJPEKBVRBZIKWET-AATRIKPKSA-N
XLogP5.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-prop-1-enylaniline
CID 145066501
2-(2-methoxy-5-prop-1-enylphenyl)-4-prop-1-enylphenol
CID 163022116
2-nitro-4-[(E)-prop-1-enyl]phenol
CID 163947820
3-[3-[5-(2-carboxyethenyl)-2-hydroxyphenyl]-4-hydroxyphenyl]prop-2-enoic acid
CID 73319213
2-[2-hydroxy-5-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenol
CID 175751251
benzoic acid;2-(2-hydroxyprop-1-enyl)-4-prop-1-enylphenol
CID 175435157
2-(benzotriazol-2-yl)-4-prop-1-enylphenol
CID 172745100
4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 155412642
1-[2-hydroxy-5-[(E)-prop-1-enyl]phenyl]-2-(2-hydroxy-5-propylphenyl)ethane-1,2-dione
CID 54419007
N-tert-butylnaphthalen-2-amine
CID 13200783
2-methyl-4-[(Z)-2-[2-methyl-4-[(E)-prop-1-enyl]phenoxy]prop-1-enyl]phenol
CID 59974698
ethane;1-methyl-2-(2-methylphenyl)-4-[(E)-prop-1-enyl]benzene
CID 90727526

Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol?
The IUPAC name of 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol (CID 146474136) is 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol.
What is the SMILES notation for 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol?
The canonical SMILES for 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol is C/C=C/c1ccc(O)c(-c2cc(NC(C)(C)C)ccc2O)c1.
What is the InChIKey of 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol?
The InChIKey is JPEKBVRBZIKWET-AATRIKPKSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-6-13-7-9-17(21)15(11-13)16-12-14(8-10-18(16)22)20-19(2,3)4/h5-12,20-22H,1-4H3/b6-5+.
What are the key properties of 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol?
2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol has a molecular weight of 297.40 g/mol, XLogP of 5.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(tert-butylamino)-2-hydroxyphenyl]-4-[(E)-prop-1-enyl]phenol is sourced from PubChem (CID 146474136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).