1-methoxy-4-prop-2-ynylbenzene

C10H10O — CID 10773115

IUPAC1-methoxy-4-prop-2-ynylbenzene
SMILESC#CCc1ccc(OC)cc1
InChIInChI=1S/C10H10O/c1-3-4-9-5-7-10(11-2)8-6-9/h1,5-8H,4H2,2H3
InChIKeyFTVOPYIWXFTNOS-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.87
Rot. Bonds2

About 1-methoxy-4-prop-2-ynylbenzene

1-methoxy-4-prop-2-ynylbenzene (PubChem CID 10773115) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-methoxy-4-prop-2-ynylbenzene.

Molecular Properties

Compound Name1-methoxy-4-prop-2-ynylbenzene
PubChem CID10773115
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1-methoxy-4-prop-2-ynylbenzene
SMILESC#CCc1ccc(OC)cc1
InChIInChI=1S/C10H10O/c1-3-4-9-5-7-10(11-2)8-6-9/h1,5-8H,4H2,2H3
InChIKeyFTVOPYIWXFTNOS-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]prop-2-yn-1-amine
CID 170552008
2-(4-methoxyphenyl)ethyl-prop-2-ynylazanium
CID 8636354
1-(4,4-dimethylpent-2-ynyl)-4-methoxybenzene
CID 86076058
1-methoxy-3-methyl-5-prop-2-ynylbenzene
CID 21060199
CID 175604529
CID 175604529
(4-methoxyphenyl)methanol
CID 7738
2-(4-methoxyphenyl)pent-4-yn-1-amine
CID 84752978
ethane;(4-methoxyphenyl)methanethiol
CID 143963839
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
molecular hydrogen;1-propyl-4-prop-2-ynylbenzene
CID 153330140
1-(4-methoxyphenyl)oct-7-yn-3-ol
CID 115831828

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-prop-2-ynylbenzene?
The IUPAC name of 1-methoxy-4-prop-2-ynylbenzene (CID 10773115) is 1-methoxy-4-prop-2-ynylbenzene.
What is the SMILES notation for 1-methoxy-4-prop-2-ynylbenzene?
The canonical SMILES for 1-methoxy-4-prop-2-ynylbenzene is C#CCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-prop-2-ynylbenzene?
The InChIKey is FTVOPYIWXFTNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-3-4-9-5-7-10(11-2)8-6-9/h1,5-8H,4H2,2H3.
What are the key properties of 1-methoxy-4-prop-2-ynylbenzene?
1-methoxy-4-prop-2-ynylbenzene has a molecular weight of 146.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-prop-2-ynylbenzene is sourced from PubChem (CID 10773115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).