2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol

C16H14O2 — CID 102498550

IUPAC2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol
SMILESOCc1ccccc1C#CCc1ccccc1O
InChIInChI=1S/C16H14O2/c17-12-15-8-2-1-6-13(15)9-5-10-14-7-3-4-11-16(14)18/h1-4,6-8,11,17-18H,10,12H2
InChIKeyBINLETWFMAVMCM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.48
Rot. Bonds2

About 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol

2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol (PubChem CID 102498550) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol.

Molecular Properties

Compound Name2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol
PubChem CID102498550
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol
SMILESOCc1ccccc1C#CCc1ccccc1O
InChIInChI=1S/C16H14O2/c17-12-15-8-2-1-6-13(15)9-5-10-14-7-3-4-11-16(14)18/h1-4,6-8,11,17-18H,10,12H2
InChIKeyBINLETWFMAVMCM-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.48
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-sulfanylprop-1-ynyl)phenyl]methanol
CID 169486145
2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
4-[2-(hydroxymethyl)phenyl]but-3-yn-2-one
CID 46934608
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
2-prop-2-ynylphenol
CID 11658299
2-(2-hydroxyphenyl)-N-[2-[2-(2-hydroxyphenyl)ethylidyneazaniumyl]ethyl]acetonitrilium
CID 69126457
3-[2-(phenylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 54974816
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
CID 175749710
CID 175749710

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol?
The IUPAC name of 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol (CID 102498550) is 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol.
What is the SMILES notation for 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol?
The canonical SMILES for 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol is OCc1ccccc1C#CCc1ccccc1O.
What is the InChIKey of 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol?
The InChIKey is BINLETWFMAVMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-12-15-8-2-1-6-13(15)9-5-10-14-7-3-4-11-16(14)18/h1-4,6-8,11,17-18H,10,12H2.
What are the key properties of 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol?
2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol has a molecular weight of 238.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol is sourced from PubChem (CID 102498550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).