2-chloroprop-2-enoic acid;styrene

C11H11ClO2 — CID 87853841

IUPAC2-chloroprop-2-enoic acid;styrene
SMILESC=C(Cl)C(=O)O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C3H3ClO2/c1-2-8-6-4-3-5-7-8;1-2(4)3(5)6/h2-7H,1H2;1H2,(H,5,6)
InChIKeyDPTDVOSVSJFJHY-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.15
Rot. Bonds2

About 2-chloroprop-2-enoic acid;styrene

2-chloroprop-2-enoic acid;styrene (PubChem CID 87853841) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-chloroprop-2-enoic acid;styrene.

Molecular Properties

Compound Name2-chloroprop-2-enoic acid;styrene
PubChem CID87853841
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-chloroprop-2-enoic acid;styrene
SMILESC=C(Cl)C(=O)O.C=Cc1ccccc1
InChIInChI=1S/C8H8.C3H3ClO2/c1-2-8-6-4-3-5-7-8;1-2(4)3(5)6/h2-7H,1H2;1H2,(H,5,6)
InChIKeyDPTDVOSVSJFJHY-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 67611169
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ethane;2-methylprop-2-enoic acid;styrene
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prop-2-enoic acid;styrene
CID 160851252
bis(buta-1,3-diene);2-methylprop-2-enoic acid;styrene
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CID 173404758
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1,1,2,3,4,4-hexachlorobuta-1,3-diene;styrene
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(Z)-but-2-enedioic acid;styrene
CID 67731875
chloroform;propan-2-one;styrene
CID 70453221
2-methylidenebutanedioic acid;styrene
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chloromethane;styrene
CID 122701035

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enoic acid;styrene?
The IUPAC name of 2-chloroprop-2-enoic acid;styrene (CID 87853841) is 2-chloroprop-2-enoic acid;styrene.
What is the SMILES notation for 2-chloroprop-2-enoic acid;styrene?
The canonical SMILES for 2-chloroprop-2-enoic acid;styrene is C=C(Cl)C(=O)O.C=Cc1ccccc1.
What is the InChIKey of 2-chloroprop-2-enoic acid;styrene?
The InChIKey is DPTDVOSVSJFJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C3H3ClO2/c1-2-8-6-4-3-5-7-8;1-2(4)3(5)6/h2-7H,1H2;1H2,(H,5,6).
What are the key properties of 2-chloroprop-2-enoic acid;styrene?
2-chloroprop-2-enoic acid;styrene has a molecular weight of 210.66 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enoic acid;styrene is sourced from PubChem (CID 87853841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).