4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate

C24H26O3 — CID 155222238

IUPAC4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc2c(c1)C(c1ccccc1)=CCCC2
InChIInChI=1S/C24H26O3/c1-2-24(25)27-17-9-8-16-26-21-15-14-20-12-6-7-13-22(23(20)18-21)19-10-4-3-5-11-19/h2-5,10-11,13-15,18H,1,6-9,12,16-17H2
InChIKeyFPFTXZHQMISUII-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.34
Rot. Bonds8

About 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate

4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate (PubChem CID 155222238) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate
PubChem CID155222238
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOc1ccc2c(c1)C(c1ccccc1)=CCCC2
InChIInChI=1S/C24H26O3/c1-2-24(25)27-17-9-8-16-26-21-15-14-20-12-6-7-13-22(23(20)18-21)19-10-4-3-5-11-19/h2-5,10-11,13-15,18H,1,6-9,12,16-17H2
InChIKeyFPFTXZHQMISUII-UHFFFAOYSA-N
XLogP5.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-phenyl-3H-inden-5-yl)oxy]butyl prop-2-enoate
CID 155221904
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
CID 171768556
7-(2-phenylpyrimidin-5-yl)oxyheptyl prop-2-enoate
CID 140977152
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
4-[3,4-bis(3,4,5-trifluorophenyl)phenoxy]butyl prop-2-enoate
CID 59725302
[4-(6-prop-2-enoyloxyhexoxy)benzoyl] 4-phenylbenzoate
CID 174791572
2-(4-hydroxyphenyl)-4-(6-prop-2-enoyloxyhexoxy)benzoic acid
CID 67066904
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate?
The IUPAC name of 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate (CID 155222238) is 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate.
What is the SMILES notation for 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate?
The canonical SMILES for 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate is C=CC(=O)OCCCCOc1ccc2c(c1)C(c1ccccc1)=CCCC2.
What is the InChIKey of 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate?
The InChIKey is FPFTXZHQMISUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-2-24(25)27-17-9-8-16-26-21-15-14-20-12-6-7-13-22(23(20)18-21)19-10-4-3-5-11-19/h2-5,10-11,13-15,18H,1,6-9,12,16-17H2.
What are the key properties of 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate?
4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate has a molecular weight of 362.47 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-8,9-dihydro-7H-benzo[7]annulen-3-yl)oxy]butyl prop-2-enoate is sourced from PubChem (CID 155222238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).