(4-chlorophenyl) cycloprop-2-ene-1-carboxylate

C10H7ClO2 — CID 175603211

IUPAC(4-chlorophenyl) cycloprop-2-ene-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)C1C=C1
InChIInChI=1S/C10H7ClO2/c11-8-3-5-9(6-4-8)13-10(12)7-1-2-7/h1-7H
InChIKeyJNMWNJUVHMKPNC-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.43
Rot. Bonds2

About (4-chlorophenyl) cycloprop-2-ene-1-carboxylate

(4-chlorophenyl) cycloprop-2-ene-1-carboxylate (PubChem CID 175603211) has the molecular formula C10H7ClO2 and a molecular weight of 194.62 g/mol. Its IUPAC name is (4-chlorophenyl) cycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) cycloprop-2-ene-1-carboxylate
PubChem CID175603211
Molecular FormulaC10H7ClO2
Molecular Weight194.62 g/mol
Exact Mass194.01
IUPAC Name(4-chlorophenyl) cycloprop-2-ene-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)C1C=C1
InChIInChI=1S/C10H7ClO2/c11-8-3-5-9(6-4-8)13-10(12)7-1-2-7/h1-7H
InChIKeyJNMWNJUVHMKPNC-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl) cycloprop-2-ene-1-carboxylate
CID 175603214
(4-chlorophenyl) acetate
CID 13410
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
(4-chlorophenyl) 4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]cyclohexane-1-carboxylate
CID 98278968
(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate
CID 91719094
(4-chlorophenyl) 1,1-dioxothiolane-3-carboxylate
CID 16566374
(4-chlorophenyl) 4-(aminomethyl)cyclohexane-1-carboxylate
CID 71395234
O-(4-chlorophenyl) 2-chloro-2-oxoethanethioate
CID 168864372
bis(4-chlorophenoxy)methanimine
CID 15716338
(E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid
CID 6439541
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
2-(4-chlorophenoxy)-3-hydroxyprop-2-enal
CID 3569705

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) cycloprop-2-ene-1-carboxylate?
The IUPAC name of (4-chlorophenyl) cycloprop-2-ene-1-carboxylate (CID 175603211) is (4-chlorophenyl) cycloprop-2-ene-1-carboxylate.
What is the SMILES notation for (4-chlorophenyl) cycloprop-2-ene-1-carboxylate?
The canonical SMILES for (4-chlorophenyl) cycloprop-2-ene-1-carboxylate is O=C(Oc1ccc(Cl)cc1)C1C=C1.
What is the InChIKey of (4-chlorophenyl) cycloprop-2-ene-1-carboxylate?
The InChIKey is JNMWNJUVHMKPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2/c11-8-3-5-9(6-4-8)13-10(12)7-1-2-7/h1-7H.
What are the key properties of (4-chlorophenyl) cycloprop-2-ene-1-carboxylate?
(4-chlorophenyl) cycloprop-2-ene-1-carboxylate has a molecular weight of 194.62 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) cycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 175603211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).