methyl (E)-3-anthracen-2-ylprop-2-enoate

C18H14O2 — CID 87861616

IUPACmethyl (E)-3-anthracen-2-ylprop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H14O2/c1-20-18(19)9-7-13-6-8-16-11-14-4-2-3-5-15(14)12-17(16)10-13/h2-12H,1H3/b9-7+
InChIKeyNVFFEVNPVWOFKY-VQHVLOKHSA-N
MW262.31 g/mol
LogP4.18
Rot. Bonds2

About methyl (E)-3-anthracen-2-ylprop-2-enoate

methyl (E)-3-anthracen-2-ylprop-2-enoate (PubChem CID 87861616) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (E)-3-anthracen-2-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-anthracen-2-ylprop-2-enoate
PubChem CID87861616
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Namemethyl (E)-3-anthracen-2-ylprop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H14O2/c1-20-18(19)9-7-13-6-8-16-11-14-4-2-3-5-15(14)12-17(16)10-13/h2-12H,1H3/b9-7+
InChIKeyNVFFEVNPVWOFKY-VQHVLOKHSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[6-(3-methoxy-3-oxoprop-1-enyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54241956
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl 3-[4-(naphthalene-2-carbonylamino)phenyl]prop-2-enoate
CID 66958345
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
N-[2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenyl]acetamide
CID 11771496
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-anthracen-2-ylprop-2-enoate?
The IUPAC name of methyl (E)-3-anthracen-2-ylprop-2-enoate (CID 87861616) is methyl (E)-3-anthracen-2-ylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-anthracen-2-ylprop-2-enoate?
The canonical SMILES for methyl (E)-3-anthracen-2-ylprop-2-enoate is COC(=O)/C=C/c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of methyl (E)-3-anthracen-2-ylprop-2-enoate?
The InChIKey is NVFFEVNPVWOFKY-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H14O2/c1-20-18(19)9-7-13-6-8-16-11-14-4-2-3-5-15(14)12-17(16)10-13/h2-12H,1H3/b9-7+.
What are the key properties of methyl (E)-3-anthracen-2-ylprop-2-enoate?
methyl (E)-3-anthracen-2-ylprop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-anthracen-2-ylprop-2-enoate is sourced from PubChem (CID 87861616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).