4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol

C18H21NO — CID 145429967

IUPAC4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol
SMILESCCC/C(C)=C(/c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H21NO/c1-3-4-13(2)18(14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,20H,3-4,19H2,1-2H3/b18-13-
InChIKeyAQSWHIXKTBWQPF-AQTBWJFISA-N
MW267.37 g/mol
LogP4.60
Rot. Bonds4

About 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol

4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol (PubChem CID 145429967) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol
PubChem CID145429967
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol
SMILESCCC/C(C)=C(/c1ccc(N)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H21NO/c1-3-4-13(2)18(14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,20H,3-4,19H2,1-2H3/b18-13-
InChIKeyAQSWHIXKTBWQPF-AQTBWJFISA-N
XLogP4.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-aminophenol;butane;methanamine
CID 145479199
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
lithium;4-aminophenol;hydride
CID 173115053
sodium;4-aminophenol;hydride
CID 173115063
4-aminophenol;dodecanoic acid
CID 157063847
1-(4-hydroxyphenyl)pentane-1,2-dione
CID 125478605
benzene-1,4-diamine;butane
CID 67434753
butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
4-[(4-aminophenyl)methyl]aniline;bis(4-ethylphenol)
CID 157077218
4-hept-3-en-4-ylphenol
CID 154096280
(E)-3-(4-aminophenyl)hex-2-enoic acid
CID 112721870
propyl 4-hydroxybenzoate
CID 66683808

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol (CID 145429967) is 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol is CCC/C(C)=C(/c1ccc(N)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol?
The InChIKey is AQSWHIXKTBWQPF-AQTBWJFISA-N. The full InChI is InChI=1S/C18H21NO/c1-3-4-13(2)18(14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,20H,3-4,19H2,1-2H3/b18-13-.
What are the key properties of 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol?
4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol is sourced from PubChem (CID 145429967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).