1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene

C24H18O4 — CID 11089987

IUPAC1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
SMILESC#CCOc1ccccc1OCC#CC#CCOc1ccccc1OCC#C
InChIInChI=1S/C24H18O4/c1-3-17-25-21-13-7-9-15-23(21)27-19-11-5-6-12-20-28-24-16-10-8-14-22(24)26-18-4-2/h1-2,7-10,13-16H,17-20H2
InChIKeyADRUKEUCRFQRAN-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.18
Rot. Bonds8

About 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene

1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene (PubChem CID 11089987) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene.

Molecular Properties

Compound Name1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
PubChem CID11089987
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
SMILESC#CCOc1ccccc1OCC#CC#CCOc1ccccc1OCC#C
InChIInChI=1S/C24H18O4/c1-3-17-25-21-13-7-9-15-23(21)27-19-11-5-6-12-20-28-24-16-10-8-14-22(24)26-18-4-2/h1-2,7-10,13-16H,17-20H2
InChIKeyADRUKEUCRFQRAN-UHFFFAOYSA-N
XLogP3.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-2-ynoxybenzonitrile
CID 11040948
2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
CID 109416531
N-methyl-2-prop-2-ynoxyaniline
CID 130693648
(2-prop-2-ynoxyphenyl)methanamine;hydrochloride
CID 50988698
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
2,3-bis(prop-2-ynoxy)phenol
CID 139940757
(2-prop-2-ynoxyphenyl)methylideneoxidanium
CID 134841021
9-methyl-9-(2-prop-2-ynoxyphenyl)fluorene
CID 170050137
2-prop-2-ynoxy-1-(2-prop-2-ynoxynaphthalen-1-yl)naphthalene
CID 11175897
2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene
CID 173273486
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene?
The IUPAC name of 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene (CID 11089987) is 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene.
What is the SMILES notation for 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene?
The canonical SMILES for 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene is C#CCOc1ccccc1OCC#CC#CCOc1ccccc1OCC#C.
What is the InChIKey of 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene?
The InChIKey is ADRUKEUCRFQRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-3-17-25-21-13-7-9-15-23(21)27-19-11-5-6-12-20-28-24-16-10-8-14-22(24)26-18-4-2/h1-2,7-10,13-16H,17-20H2.
What are the key properties of 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene?
1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene has a molecular weight of 370.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene is sourced from PubChem (CID 11089987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).