3-prop-2-enoxyprop-1-ynylbenzene

C12H12O — CID 10057982

IUPAC3-prop-2-enoxyprop-1-ynylbenzene
SMILESC=CCOCC#Cc1ccccc1
InChIInChI=1S/C12H12O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-5,7-8H,1,10-11H2
InChIKeyRHNNBNOMBIKPDB-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.24
Rot. Bonds3

About 3-prop-2-enoxyprop-1-ynylbenzene

3-prop-2-enoxyprop-1-ynylbenzene (PubChem CID 10057982) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-prop-2-enoxyprop-1-ynylbenzene.

Molecular Properties

Compound Name3-prop-2-enoxyprop-1-ynylbenzene
PubChem CID10057982
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name3-prop-2-enoxyprop-1-ynylbenzene
SMILESC=CCOCC#Cc1ccccc1
InChIInChI=1S/C12H12O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-5,7-8H,1,10-11H2
InChIKeyRHNNBNOMBIKPDB-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propynoic acid, 3-phenyl-, ethyl ester
CID 91516
Phenylpropynal
CID 75740
Ethyl styryl ether
CID 5383414
Benzene, (2-methoxyethenyl)-
CID 5368493
(2-Allyloxyethyl)benzene
CID 84328
3-Phenyl-2-propyn-1-ol
CID 123115
4-Phenylbut-3-yn-1-ol
CID 575462
(3-Methoxy-1-propenyl)benzene
CID 5462920
7-Phenyl-2,4,6-heptatriyn-1-ol
CID 3085176
Dicinnamyl ether
CID 54330493
O-ethyl (E)-3-phenylprop-2-enethioate
CID 5387444
Propyl Thionocinnamate
CID 20518035

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxyprop-1-ynylbenzene?
The IUPAC name of 3-prop-2-enoxyprop-1-ynylbenzene (CID 10057982) is 3-prop-2-enoxyprop-1-ynylbenzene.
What is the SMILES notation for 3-prop-2-enoxyprop-1-ynylbenzene?
The canonical SMILES for 3-prop-2-enoxyprop-1-ynylbenzene is C=CCOCC#Cc1ccccc1.
What is the InChIKey of 3-prop-2-enoxyprop-1-ynylbenzene?
The InChIKey is RHNNBNOMBIKPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-5,7-8H,1,10-11H2.
What are the key properties of 3-prop-2-enoxyprop-1-ynylbenzene?
3-prop-2-enoxyprop-1-ynylbenzene has a molecular weight of 172.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxyprop-1-ynylbenzene is sourced from PubChem (CID 10057982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).