2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate

C35H32O6 — CID 144703987

IUPAC2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)CCc3cc4ccccc4cc32)cc1
InChIInChI=1S/C35H32O6/c1-3-33(36)40-21-19-38-30-13-9-28(10-14-30)35(18-17-27-23-25-7-5-6-8-26(25)24-32(27)35)29-11-15-31(16-12-29)39-20-22-41-34(37)4-2/h3-16,23-24H,1-2,17-22H2
InChIKeyWLVXJPLKBXWJME-UHFFFAOYSA-N
MW548.64 g/mol
LogP6.34
Rot. Bonds12

About 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate

2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate (PubChem CID 144703987) has the molecular formula C35H32O6 and a molecular weight of 548.64 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate
PubChem CID144703987
Molecular FormulaC35H32O6
Molecular Weight548.64 g/mol
Exact Mass548.22
IUPAC Name2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)CCc3cc4ccccc4cc32)cc1
InChIInChI=1S/C35H32O6/c1-3-33(36)40-21-19-38-30-13-9-28(10-14-30)35(18-17-27-23-25-7-5-6-8-26(25)24-32(27)35)29-11-15-31(16-12-29)39-20-22-41-34(37)4-2/h3-16,23-24H,1-2,17-22H2
InChIKeyWLVXJPLKBXWJME-UHFFFAOYSA-N
XLogP6.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate 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-[4-[1-[4-(2-prop-2-enoyloxyethoxy)phenyl]-2H-acenaphthylen-1-yl]phenoxy]ethyl prop-2-enoate
CID 144703981
2-[4-[7-[4-(2-prop-2-enoyloxyethoxy)phenyl]benzo[a]phenalen-7-yl]phenoxy]ethyl prop-2-enoate
CID 118230473
2-[4-[11-[4-(2-prop-2-enoyloxyethoxy)phenyl]indeno[1,2-b]quinolin-11-yl]phenoxy]ethyl prop-2-enoate
CID 165377878
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-[6-(2,11-dinaphthalen-2-ylbenzo[b]fluoren-11-yl)naphthalen-2-yl]oxyethyl prop-2-enoate
CID 144924149
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate (CID 144703987) is 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C=C)cc3)CCc3cc4ccccc4cc32)cc1.
What is the InChIKey of 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate?
The InChIKey is WLVXJPLKBXWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32O6/c1-3-33(36)40-21-19-38-30-13-9-28(10-14-30)35(18-17-27-23-25-7-5-6-8-26(25)24-32(27)35)29-11-15-31(16-12-29)39-20-22-41-34(37)4-2/h3-16,23-24H,1-2,17-22H2.
What are the key properties of 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate?
2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate has a molecular weight of 548.64 g/mol, XLogP of 6.34, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(2-prop-2-enoyloxyethoxy)phenyl]-1,2-dihydrocyclopenta[b]naphthalen-3-yl]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 144703987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).