2-[3-(2-methoxyphenyl)prop-1-ynyl]furan

C14H12O2 — CID 101416013

IUPAC2-[3-(2-methoxyphenyl)prop-1-ynyl]furan
SMILESCOc1ccccc1CC#Cc1ccco1
InChIInChI=1S/C14H12O2/c1-15-14-10-3-2-6-12(14)7-4-8-13-9-5-11-16-13/h2-3,5-6,9-11H,7H2,1H3
InChIKeyXGONQQKEWXTCLI-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.88
Rot. Bonds2

About 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan

2-[3-(2-methoxyphenyl)prop-1-ynyl]furan (PubChem CID 101416013) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)prop-1-ynyl]furan
PubChem CID101416013
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2-[3-(2-methoxyphenyl)prop-1-ynyl]furan
SMILESCOc1ccccc1CC#Cc1ccco1
InChIInChI=1S/C14H12O2/c1-15-14-10-3-2-6-12(14)7-4-8-13-9-5-11-16-13/h2-3,5-6,9-11H,7H2,1H3
InChIKeyXGONQQKEWXTCLI-UHFFFAOYSA-N
XLogP2.88
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
CID 101398032
1-hexa-2,4-diynyl-2-methoxybenzene
CID 5319414
4-(2-methoxyphenyl)but-2-ynoic acid
CID 64535193
furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium
CID 4090515
(2-(111C)methoxyphenyl)methanol
CID 59897789
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-(furan-2-ylmethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62999600
2-[3-(2-methoxyphenyl)prop-1-ynylamino]acetamide
CID 67925876
lithium (2-methoxyphenyl)methanolate
CID 139799103
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
1-(furan-2-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanol
CID 106261262
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259587

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan?
The IUPAC name of 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan (CID 101416013) is 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan?
The canonical SMILES for 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan is COc1ccccc1CC#Cc1ccco1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan?
The InChIKey is XGONQQKEWXTCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-15-14-10-3-2-6-12(14)7-4-8-13-9-5-11-16-13/h2-3,5-6,9-11H,7H2,1H3.
What are the key properties of 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan?
2-[3-(2-methoxyphenyl)prop-1-ynyl]furan has a molecular weight of 212.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)prop-1-ynyl]furan is sourced from PubChem (CID 101416013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).