ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol

C14H16O2 — CID 142610234

IUPACethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
SMILESCC.OCC#Cc1ccccc1C#CCO
InChIInChI=1S/C12H10O2.C2H6/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14;1-2/h1-2,5-6,13-14H,9-10H2;1-2H3
InChIKeyRGBONLIAEVMUHZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.40
Rot. Bonds

About ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol

ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol (PubChem CID 142610234) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Nameethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
PubChem CID142610234
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
SMILESCC.OCC#Cc1ccccc1C#CCO
InChIInChI=1S/C12H10O2.C2H6/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14;1-2/h1-2,5-6,13-14H,9-10H2;1-2H3
InChIKeyRGBONLIAEVMUHZ-UHFFFAOYSA-N
XLogP1.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.40
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

3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
3-(2-tert-butylphenyl)prop-2-yn-1-ol
CID 58989890
3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970383
2-chloro-6-(3-hydroxyprop-1-ynyl)phenol
CID 89093985
3-[2-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970074
3-(2-anilinophenyl)prop-2-yn-1-ol
CID 169485761
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83023747
3-[2-(phenylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 54974816
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol (CID 142610234) is ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol is CC.OCC#Cc1ccccc1C#CCO.
What is the InChIKey of ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol?
The InChIKey is RGBONLIAEVMUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C2H6/c13-9-3-7-11-5-1-2-6-12(11)8-4-10-14;1-2/h1-2,5-6,13-14H,9-10H2;1-2H3.
What are the key properties of ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol?
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 142610234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).