3-(4-aminophenyl)prop-2-yn-1-ol

C9H9NO — CID 23345652

IUPAC3-(4-aminophenyl)prop-2-yn-1-ol
SMILESNc1ccc(C#CCO)cc1
InChIInChI=1S/C9H9NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7,10H2
InChIKeyXANNFDGZXZOZCG-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.61
Rot. Bonds

About 3-(4-aminophenyl)prop-2-yn-1-ol

3-(4-aminophenyl)prop-2-yn-1-ol (PubChem CID 23345652) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-(4-aminophenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(4-aminophenyl)prop-2-yn-1-ol
PubChem CID23345652
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3-(4-aminophenyl)prop-2-yn-1-ol
SMILESNc1ccc(C#CCO)cc1
InChIInChI=1S/C9H9NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7,10H2
InChIKeyXANNFDGZXZOZCG-UHFFFAOYSA-N
XLogP0.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
4-(4-aminophenyl)but-3-ynoic acid
CID 67843396
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
3-[4-(methylamino)phenyl]prop-2-yn-1-ol
CID 22986794
4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 5201737
3-[4-(difluoromethyl)phenyl]prop-2-yn-1-ol
CID 169484888
[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea
CID 169485261
4-hex-1-ynylaniline
CID 11845914
4-(4-aminophenoxy)but-2-yn-1-ol;hydrochloride
CID 71386289
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709
3-[4-(4-bromophenoxy)phenyl]prop-2-yn-1-ol
CID 21322306
3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
CID 101217736

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(4-aminophenyl)prop-2-yn-1-ol (CID 23345652) is 3-(4-aminophenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(4-aminophenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(4-aminophenyl)prop-2-yn-1-ol is Nc1ccc(C#CCO)cc1.
What is the InChIKey of 3-(4-aminophenyl)prop-2-yn-1-ol?
The InChIKey is XANNFDGZXZOZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7,10H2.
What are the key properties of 3-(4-aminophenyl)prop-2-yn-1-ol?
3-(4-aminophenyl)prop-2-yn-1-ol has a molecular weight of 147.18 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)prop-2-yn-1-ol is sourced from PubChem (CID 23345652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).