[2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol

C14H12O2 — CID 88718499

IUPAC[2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol
SMILESC#Cc1cccc(Cc2occc2CO)c1
InChIInChI=1S/C14H12O2/c1-2-11-4-3-5-12(8-11)9-14-13(10-15)6-7-16-14/h1,3-8,15H,9-10H2
InChIKeyMRRQCYIUFNIYIK-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.34
Rot. Bonds3

About [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol

[2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol (PubChem CID 88718499) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol.

Molecular Properties

Compound Name[2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol
PubChem CID88718499
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name[2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol
SMILESC#Cc1cccc(Cc2occc2CO)c1
InChIInChI=1S/C14H12O2/c1-2-11-4-3-5-12(8-11)9-14-13(10-15)6-7-16-14/h1,3-8,15H,9-10H2
InChIKeyMRRQCYIUFNIYIK-UHFFFAOYSA-N
XLogP2.34
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-phenyl-3-furoate
CID 62007
3-Furanmethanol, 5-(phenylmethyl)-
CID 12364396
Benzofuran-7-Carboxylic Acid
CID 13307983
3-(2-Furyl)-1-(2-hydroxyphenyl)-2-propen-1-one
CID 5355845
2-Methyl-5-phenylfuran-3-carboxylic acid
CID 736516
4-(Fur-2-yl)benzoic acid
CID 5138791
2-Phenylfuran-3-carboxylic acid
CID 234849
2-(2-furyl)benzoic Acid
CID 2772293
[2-(3-furyl)-6-methyl-4-oxo-4H-chromen-8-yl]acetic acid
CID 819447
2-Methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 1510917
2-Phenylfuran
CID 519363
2-(3-Phenylpropyl)furan
CID 529780

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol?
The IUPAC name of [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol (CID 88718499) is [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol.
What is the SMILES notation for [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol?
The canonical SMILES for [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol is C#Cc1cccc(Cc2occc2CO)c1.
What is the InChIKey of [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol?
The InChIKey is MRRQCYIUFNIYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-2-11-4-3-5-12(8-11)9-14-13(10-15)6-7-16-14/h1,3-8,15H,9-10H2.
What are the key properties of [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol?
[2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol has a molecular weight of 212.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethynylphenyl)methyl]furan-3-yl]methanol is sourced from PubChem (CID 88718499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).