1-ethoxy-3-ethynylbenzene

C10H10O — CID 53434126

IUPAC1-ethoxy-3-ethynylbenzene
SMILESC#Cc1cccc(OCC)c1
InChIInChI=1S/C10H10O/c1-3-9-6-5-7-10(8-9)11-4-2/h1,5-8H,4H2,2H3
InChIKeyGXHPKYAAABZZRJ-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.07
Rot. Bonds2

About 1-ethoxy-3-ethynylbenzene

1-ethoxy-3-ethynylbenzene (PubChem CID 53434126) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-ethoxy-3-ethynylbenzene.

Molecular Properties

Compound Name1-ethoxy-3-ethynylbenzene
PubChem CID53434126
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1-ethoxy-3-ethynylbenzene
SMILESC#Cc1cccc(OCC)c1
InChIInChI=1S/C10H10O/c1-3-9-6-5-7-10(8-9)11-4-2/h1,5-8H,4H2,2H3
InChIKeyGXHPKYAAABZZRJ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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

1-(3,3-difluoropropoxy)-3-ethynylbenzene
CID 86627697
1-ethynyl-3-(3-ethynylphenoxy)benzene
CID 22494552
1,3-dichloro-2-[(3-ethynylphenoxy)methyl]benzene
CID 91757458
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethynyl-3-prop-2-enoxybenzene
CID 87681709
1-but-3-ynyl-3-ethoxybenzene
CID 164663959
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
ethoxybenzene chloride
CID 21193593
(3-ethoxyphenyl)methanetriamine
CID 142802456
methyl 2-(3-ethynylphenoxy)butanoate
CID 87249352
1-bromo-3-ethoxybenzene;ethane
CID 143900364
3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline
CID 70603517

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-ethynylbenzene?
The IUPAC name of 1-ethoxy-3-ethynylbenzene (CID 53434126) is 1-ethoxy-3-ethynylbenzene.
What is the SMILES notation for 1-ethoxy-3-ethynylbenzene?
The canonical SMILES for 1-ethoxy-3-ethynylbenzene is C#Cc1cccc(OCC)c1.
What is the InChIKey of 1-ethoxy-3-ethynylbenzene?
The InChIKey is GXHPKYAAABZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-3-9-6-5-7-10(8-9)11-4-2/h1,5-8H,4H2,2H3.
What are the key properties of 1-ethoxy-3-ethynylbenzene?
1-ethoxy-3-ethynylbenzene has a molecular weight of 146.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-ethynylbenzene is sourced from PubChem (CID 53434126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).