2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene

C36H36O4 — CID 23527554

IUPAC2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene
SMILESC=COCCCOc1ccc(-c2ccc3c(c2)C(C)c2cc(-c4ccc(OC(CC)OC=C)cc4)ccc2-3)cc1
InChIInChI=1S/C36H36O4/c1-5-36(38-7-3)40-31-17-11-27(12-18-31)29-14-20-33-32-19-13-28(23-34(32)25(4)35(33)24-29)26-9-15-30(16-10-26)39-22-8-21-37-6-2/h6-7,9-20,23-25,36H,2-3,5,8,21-22H2,1,4H3
InChIKeyICIXEBIMLWOQEY-UHFFFAOYSA-N
MW532.68 g/mol
LogP9.36
Rot. Bonds13

About 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene

2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene (PubChem CID 23527554) has the molecular formula C36H36O4 and a molecular weight of 532.68 g/mol. Its IUPAC name is 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene.

Molecular Properties

Compound Name2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene
PubChem CID23527554
Molecular FormulaC36H36O4
Molecular Weight532.68 g/mol
Exact Mass532.26
IUPAC Name2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene
SMILESC=COCCCOc1ccc(-c2ccc3c(c2)C(C)c2cc(-c4ccc(OC(CC)OC=C)cc4)ccc2-3)cc1
InChIInChI=1S/C36H36O4/c1-5-36(38-7-3)40-31-17-11-27(12-18-31)29-14-20-33-32-19-13-28(23-34(32)25(4)35(33)24-29)26-9-15-30(16-10-26)39-22-8-21-37-6-2/h6-7,9-20,23-25,36H,2-3,5,8,21-22H2,1,4H3
InChIKeyICIXEBIMLWOQEY-UHFFFAOYSA-N
XLogP9.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate
CID 23527484
2-chloro-1,4-bis[4-(3-ethenoxypropoxy)phenyl]benzene
CID 101044147
6-[4-[9,9-dimethyl-7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]fluoren-2-yl]phenoxy]hexyl prop-2-enoate;3-[4-[9,9-dimethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]fluoren-2-yl]phenoxy]propyl prop-2-enoate;6-[4-[9-methyl-7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]-9H-fluoren-2-yl]phenoxy]hexyl prop-2-enoate;5-[4-[9-methyl-7-[4-(1-prop-2-enoyloxypentoxy)phenyl]-9H-fluoren-2-yl]phenoxy]pentyl prop-2-enoate;3-[4-[9-methyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate;6-[4-[7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl prop-2-enoate;3-[4-[7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]propyl prop-2-enoate
CID 159001747
[7-[[4-(1-ethenoxybutoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(4-ethenoxybutoxy)benzoate
CID 23527547
[9-methyl-7-[4-(4-prop-2-enoxybutoxy)benzoyl]oxy-9H-fluoren-2-yl] 4-octoxybenzoate
CID 58586870
3-ethyl-3-[6-[4-[9-methyl-7-[4-(trifluoromethoxy)phenyl]-9H-fluoren-2-yl]phenoxy]hexoxymethyl]oxetane
CID 71094060
[9-methyl-7-[4-(4-prop-2-enoxybutoxy)benzoyl]oxy-9H-fluoren-2-yl] 4-cyanobenzoate
CID 89267613
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012
1-[4-[3-(ethenoxymethoxy)propoxy]phenyl]-4-[2-[4-(3-ethenoxypropoxy)phenyl]ethyl]-2,3-difluorobenzene
CID 91167468
3-[4-[4-[6-[4-(4-ethenoxybutoxy)-3-[3-[2-(4-ethenoxybutoxy)-5-[6-[4-[4-[7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilol-3-yl]phenyl]phenoxy]hexyl]phenyl]propyl]phenyl]hexoxy]phenyl]phenyl]-7-[4-(4-octoxyphenyl)phenyl]-5,5-dioctylbenzo[b][1]benzosilole
CID 153429512
4-[4-[[9-methyl-7-(4-prop-2-enoyloxybutoxy)-9H-fluoren-2-yl]sulfanylcarbonyl]phenoxy]butyl prop-2-enoate
CID 155241489

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene?
The IUPAC name of 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene (CID 23527554) is 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene.
What is the SMILES notation for 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene?
The canonical SMILES for 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene is C=COCCCOc1ccc(-c2ccc3c(c2)C(C)c2cc(-c4ccc(OC(CC)OC=C)cc4)ccc2-3)cc1.
What is the InChIKey of 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene?
The InChIKey is ICIXEBIMLWOQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O4/c1-5-36(38-7-3)40-31-17-11-27(12-18-31)29-14-20-33-32-19-13-28(23-34(32)25(4)35(33)24-29)26-9-15-30(16-10-26)39-22-8-21-37-6-2/h6-7,9-20,23-25,36H,2-3,5,8,21-22H2,1,4H3.
What are the key properties of 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene?
2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene has a molecular weight of 532.68 g/mol, XLogP of 9.36, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene is sourced from PubChem (CID 23527554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).