3-(2-anilinophenyl)prop-2-yn-1-ol

C15H13NO — CID 169485761

IUPAC3-(2-anilinophenyl)prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C15H13NO/c17-12-6-8-13-7-4-5-11-15(13)16-14-9-2-1-3-10-14/h1-5,7,9-11,16-17H,12H2
InChIKeyCOHQQRJNUHHNDV-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.77
Rot. Bonds2

About 3-(2-anilinophenyl)prop-2-yn-1-ol

3-(2-anilinophenyl)prop-2-yn-1-ol (PubChem CID 169485761) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(2-anilinophenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2-anilinophenyl)prop-2-yn-1-ol
PubChem CID169485761
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name3-(2-anilinophenyl)prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C15H13NO/c17-12-6-8-13-7-4-5-11-15(13)16-14-9-2-1-3-10-14/h1-5,7,9-11,16-17H,12H2
InChIKeyCOHQQRJNUHHNDV-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
ethyl 4-(2-anilinophenyl)but-3-ynoate
CID 170472213
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232619
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475991
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
2-(2-bromoethynyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 143581893

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilinophenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(2-anilinophenyl)prop-2-yn-1-ol (CID 169485761) is 3-(2-anilinophenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2-anilinophenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2-anilinophenyl)prop-2-yn-1-ol is OCC#Cc1ccccc1Nc1ccccc1.
What is the InChIKey of 3-(2-anilinophenyl)prop-2-yn-1-ol?
The InChIKey is COHQQRJNUHHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-12-6-8-13-7-4-5-11-15(13)16-14-9-2-1-3-10-14/h1-5,7,9-11,16-17H,12H2.
What are the key properties of 3-(2-anilinophenyl)prop-2-yn-1-ol?
3-(2-anilinophenyl)prop-2-yn-1-ol has a molecular weight of 223.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilinophenyl)prop-2-yn-1-ol is sourced from PubChem (CID 169485761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).