carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate

C18H13ClO3 — CID 175546905

IUPACcarbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
SMILESCC(=CC1c2ccccc2-c2ccccc21)C(=O)OC(=O)Cl
InChIInChI=1S/C18H13ClO3/c1-11(17(20)22-18(19)21)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16H,1H3
InChIKeyKQGNDPIFESTEJH-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.65
Rot. Bonds2

About carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate

carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate (PubChem CID 175546905) has the molecular formula C18H13ClO3 and a molecular weight of 312.75 g/mol. Its IUPAC name is carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namecarbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
PubChem CID175546905
Molecular FormulaC18H13ClO3
Molecular Weight312.75 g/mol
Exact Mass312.06
IUPAC Namecarbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
SMILESCC(=CC1c2ccccc2-c2ccccc21)C(=O)OC(=O)Cl
InChIInChI=1S/C18H13ClO3/c1-11(17(20)22-18(19)21)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16H,1H3
InChIKeyKQGNDPIFESTEJH-UHFFFAOYSA-N
XLogP4.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
CID 174390717
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate
CID 19978427
methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
CID 23629522
9H-fluorene-9-carbaldehyde
CID 11074281
hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate
CID 139648482
9H-fluoren-9-ylmethoxy carbonochloridate
CID 22145274
(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid
CID 102191450
4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid
CID 175370166
carbonochloridoyl [1-(9H-fluoren-9-yl)-3-hexa-1,3-dienoxy-2-oxopropyl] carbonate
CID 54393573
(2-bromo-9H-fluoren-9-yl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 134119589
[1-(9H-fluoren-9-yl)-2-oxopropyl] formate
CID 56631789

Frequently Asked Questions

What is the IUPAC name of carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate?
The IUPAC name of carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate (CID 175546905) is carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate.
What is the SMILES notation for carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate?
The canonical SMILES for carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate is CC(=CC1c2ccccc2-c2ccccc21)C(=O)OC(=O)Cl.
What is the InChIKey of carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate?
The InChIKey is KQGNDPIFESTEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3/c1-11(17(20)22-18(19)21)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-10,16H,1H3.
What are the key properties of carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate?
carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate has a molecular weight of 312.75 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 175546905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).