[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate

C19H17FO2 — CID 146188899

IUPAC[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(F)c3c2CCC3)cc1
InChIInChI=1S/C19H17FO2/c1-12(2)19(21)22-14-8-6-13(7-9-14)15-10-11-18(20)17-5-3-4-16(15)17/h6-11H,1,3-5H2,2H3
InChIKeyXJBVNWSKIQDMGH-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.46
Rot. Bonds3

About [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate

[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate (PubChem CID 146188899) has the molecular formula C19H17FO2 and a molecular weight of 296.34 g/mol. Its IUPAC name is [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate
PubChem CID146188899
Molecular FormulaC19H17FO2
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Name[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(F)c3c2CCC3)cc1
InChIInChI=1S/C19H17FO2/c1-12(2)19(21)22-14-8-6-13(7-9-14)15-10-11-18(20)17-5-3-4-16(15)17/h6-11H,1,3-5H2,2H3
InChIKeyXJBVNWSKIQDMGH-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[7-(4-prop-2-enoyloxyphenyl)-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
CID 138745445
[4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;methane
CID 157390432
[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-2-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate;[7-[4-[3,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-fluorophenyl]-2,3-dihydro-1H-inden-4-yl] 2-methylprop-2-enoate
CID 159111833
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109
[4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 139541987
[4-[2-fluoro-4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 126595774
[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660267
[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 121372601
[4-[4-[3,4-bis(2-methylprop-2-enoyloxy)phenyl]-2,3-difluorophenyl]phenyl] 2-methylprop-2-enoate
CID 130280856
[4-[4-(2-fluoro-4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 147470296
[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylpropanoate
CID 126514909
[4-(4-methylnaphthalen-1-yl)phenyl] 2-methylprop-2-enoate
CID 146664163

Frequently Asked Questions

What is the IUPAC name of [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate (CID 146188899) is [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(F)c3c2CCC3)cc1.
What is the InChIKey of [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate?
The InChIKey is XJBVNWSKIQDMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO2/c1-12(2)19(21)22-14-8-6-13(7-9-14)15-10-11-18(20)17-5-3-4-16(15)17/h6-11H,1,3-5H2,2H3.
What are the key properties of [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate?
[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate has a molecular weight of 296.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 146188899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).