methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate

C17H13ClO2 — CID 23629522

IUPACmethyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
SMILESCOC(=O)/C(=C\Cl)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H13ClO2/c1-20-17(19)15(10-18)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3/b15-10-
InChIKeyOOFZSKIWTDHNJM-GDNBJRDFSA-N
MW284.74 g/mol
LogP4.09
Rot. Bonds2

About methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate

methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate (PubChem CID 23629522) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
PubChem CID23629522
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Namemethyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
SMILESCOC(=O)/C(=C\Cl)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H13ClO2/c1-20-17(19)15(10-18)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3/b15-10-
InChIKeyOOFZSKIWTDHNJM-GDNBJRDFSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate (CID 23629522) is methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate is COC(=O)/C(=C\Cl)C1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate?
The InChIKey is OOFZSKIWTDHNJM-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H13ClO2/c1-20-17(19)15(10-18)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3/b15-10-.
What are the key properties of methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate?
methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate has a molecular weight of 284.74 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate is sourced from PubChem (CID 23629522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).