(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene

C19H16O — CID 10730067

IUPAC(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene
SMILESCCOC(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C19H16O/c1-2-20-19(15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12,19H,2H2,1H3
InChIKeyRZKDJOLHWZYIHX-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.49
Rot. Bonds2

About (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene

(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene (PubChem CID 10730067) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene.

Molecular Properties

Compound Name(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene
PubChem CID10730067
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene
SMILESCCOC(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C19H16O/c1-2-20-19(15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12,19H,2H2,1H3
InChIKeyRZKDJOLHWZYIHX-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.49
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

carbon monoxide;cobalt;3,3-diethoxyprop-1-ynylbenzene
CID 11329316
1-ethoxy-4-phenylbut-3-yn-2-amine
CID 130700477
N,N-diethyl-4-phenylbut-3-yn-2-amine
CID 3146070
ethyl (2S,3R)-2,3-dihydroxy-5-phenylpent-4-ynoate
CID 23248824
3-fluorohex-1-ynylbenzene
CID 135044273
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428
[(3S)-3-bromobut-1-ynyl]benzene
CID 99864815
3-ethyl-5-phenylpent-4-ynenitrile
CID 15355077
1-(3,3-diethoxyprop-1-ynyl)-4-fluorobenzene
CID 23464829
3-[(3R)-pent-1-en-3-yl]oxyprop-1-ynylbenzene
CID 139254506
1-bromo-3-(3,3-diethoxyprop-1-ynyl)benzene
CID 176563182
1,3-diphenylprop-2-ynyl(triethyl)silane
CID 166443845

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene?
The IUPAC name of (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene (CID 10730067) is (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene.
What is the SMILES notation for (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene?
The canonical SMILES for (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene is CCOC(C#Cc1ccccc1)C#Cc1ccccc1.
What is the InChIKey of (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene?
The InChIKey is RZKDJOLHWZYIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-2-20-19(15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12,19H,2H2,1H3.
What are the key properties of (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene?
(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene has a molecular weight of 260.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-5-phenylpenta-1,4-diynyl)benzene is sourced from PubChem (CID 10730067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).