methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate

C19H18O3 — CID 67145671

IUPACmethyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC2Cc3ccccc3C2)cc1
InChIInChI=1S/C19H18O3/c1-21-19(20)11-8-14-6-9-17(10-7-14)22-18-12-15-4-2-3-5-16(15)13-18/h2-11,18H,12-13H2,1H3/b11-8+
InChIKeyBJSRKWYEODMMGF-DHZHZOJOSA-N
MW294.35 g/mol
LogP3.42
Rot. Bonds4

About methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate

methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate (PubChem CID 67145671) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate
PubChem CID67145671
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namemethyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC2Cc3ccccc3C2)cc1
InChIInChI=1S/C19H18O3/c1-21-19(20)11-8-14-6-9-17(10-7-14)22-18-12-15-4-2-3-5-16(15)13-18/h2-11,18H,12-13H2,1H3/b11-8+
InChIKeyBJSRKWYEODMMGF-DHZHZOJOSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-(3,4-dimethylcycloheptyl)oxybenzoate
CID 131993878
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244
methyl (E)-3-(2,3-dihydro-1H-inden-2-ylamino)prop-2-enoate
CID 107853787
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438
methyl 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 6624383
methyl (E)-3-anthracen-2-ylprop-2-enoate
CID 87861616
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate (CID 67145671) is methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate is COC(=O)/C=C/c1ccc(OC2Cc3ccccc3C2)cc1.
What is the InChIKey of methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate?
The InChIKey is BJSRKWYEODMMGF-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H18O3/c1-21-19(20)11-8-14-6-9-17(10-7-14)22-18-12-15-4-2-3-5-16(15)13-18/h2-11,18H,12-13H2,1H3/b11-8+.
What are the key properties of methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate?
methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate has a molecular weight of 294.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]prop-2-enoate is sourced from PubChem (CID 67145671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).