(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate

C14H11ClO2 — CID 13195611

IUPAC(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H11ClO2/c1-9(2)14(16)17-13-8-7-12(15)10-5-3-4-6-11(10)13/h3-8H,1H2,2H3
InChIKeyDPCCPFUWPDDJDD-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.97
Rot. Bonds2

About (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate

(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate (PubChem CID 13195611) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
PubChem CID13195611
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H11ClO2/c1-9(2)14(16)17-13-8-7-12(15)10-5-3-4-6-11(10)13/h3-8H,1H2,2H3
InChIKeyDPCCPFUWPDDJDD-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.97
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

[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate
CID 139636295
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406654
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
1-chloro-4-methoxynaphthalene
CID 606038
(4-chloronaphthalen-1-yl) 2-iodobenzoate
CID 7919991
(4-chloronaphthalen-1-yl) 4-methylsulfonylbenzoate
CID 18081225
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
(4-chloronaphthalen-1-yl) pyridine-2-carboxylate
CID 18075291
(2,4-diphenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406763

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate (CID 13195611) is (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate?
The InChIKey is DPCCPFUWPDDJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-9(2)14(16)17-13-8-7-12(15)10-5-3-4-6-11(10)13/h3-8H,1H2,2H3.
What are the key properties of (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate?
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate has a molecular weight of 246.69 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 13195611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).