2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate

C30H24O4 — CID 102311410

IUPAC2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)C=C3
InChIInChI=1S/C30H24O4/c1-2-29(31)33-20-19-32-25-14-15-26-22(21-25)13-16-28-27(26)17-18-30(34-28,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-18,21H,1,19-20H2
InChIKeyCUZCNVANAXSDBU-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.30
Rot. Bonds7

About 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate

2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate (PubChem CID 102311410) has the molecular formula C30H24O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate
PubChem CID102311410
Molecular FormulaC30H24O4
Molecular Weight448.52 g/mol
Exact Mass448.17
IUPAC Name2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)C=C3
InChIInChI=1S/C30H24O4/c1-2-29(31)33-20-19-32-25-14-15-26-22(21-25)13-16-28-27(26)17-18-30(34-28,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-18,21H,1,19-20H2
InChIKeyCUZCNVANAXSDBU-UHFFFAOYSA-N
XLogP6.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
ethane;[3-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-3-phenylbenzo[f]chromen-8-yl]methyl prop-2-enoate
CID 143257832
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
2-[3-(4-formylphenyl)-3-phenylbenzo[f]chromen-5-yl]oxyethyl acetate
CID 146551934
spiro[benzo[f]chromene-3,9'-fluorene]-8-yl trifluoromethanesulfonate
CID 101359754
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate?
The IUPAC name of 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate (CID 102311410) is 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate.
What is the SMILES notation for 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate?
The canonical SMILES for 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate is C=CC(=O)OCCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)C=C3.
What is the InChIKey of 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate?
The InChIKey is CUZCNVANAXSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O4/c1-2-29(31)33-20-19-32-25-14-15-26-22(21-25)13-16-28-27(26)17-18-30(34-28,23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-18,21H,1,19-20H2.
What are the key properties of 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate?
2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate has a molecular weight of 448.52 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylbenzo[f]chromen-8-yl)oxyethyl prop-2-enoate is sourced from PubChem (CID 102311410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).