2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate

C35H30O4 — CID 134346927

IUPAC2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(C2(c3ccc(CCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H30O4/c1-3-33(36)38-23-21-25-13-17-27(18-14-25)35(28-19-15-26(16-20-28)22-24-39-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35/h3-20H,1-2,21-24H2
InChIKeyQTYIGYOHMXXQQJ-UHFFFAOYSA-N
MW514.62 g/mol
LogP6.59
Rot. Bonds10

About 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate

2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate (PubChem CID 134346927) has the molecular formula C35H30O4 and a molecular weight of 514.62 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
PubChem CID134346927
Molecular FormulaC35H30O4
Molecular Weight514.62 g/mol
Exact Mass514.21
IUPAC Name2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(C2(c3ccc(CCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H30O4/c1-3-33(36)38-23-21-25-13-17-27(18-14-25)35(28-19-15-26(16-20-28)22-24-39-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35/h3-20H,1-2,21-24H2
InChIKeyQTYIGYOHMXXQQJ-UHFFFAOYSA-N
XLogP6.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
2-[4-[7-[4-(2-prop-2-enoyloxyethoxy)phenyl]benzo[a]phenalen-7-yl]phenoxy]ethyl prop-2-enoate
CID 118230473
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
2-[4-[9-[3,5-diphenyl-4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2,6-diphenylphenoxy]ethyl prop-2-enoate
CID 163736073
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
2-[4-[11-[4-(2-prop-2-enoyloxyethoxy)phenyl]indeno[1,2-b]quinolin-11-yl]phenoxy]ethyl prop-2-enoate
CID 165377878
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
buta-1,3-diene;7-[4-[9-[4-(3-methoxypropyl)phenyl]fluoren-9-yl]phenyl]hept-1-en-3-one
CID 145272289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate (CID 134346927) is 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(C2(c3ccc(CCOC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate?
The InChIKey is QTYIGYOHMXXQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O4/c1-3-33(36)38-23-21-25-13-17-27(18-14-25)35(28-19-15-26(16-20-28)22-24-39-34(37)4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)35/h3-20H,1-2,21-24H2.
What are the key properties of 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate?
2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate has a molecular weight of 514.62 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-prop-2-enoyloxyethyl)phenyl]fluoren-9-yl]phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 134346927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).