[(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium

C11H11ClCrO — CID 11372600

IUPAC[(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium
SMILESClCCOC(=[Cr])/C=C/c1ccccc1
InChIInChI=1S/C11H11ClO.Cr/c12-8-10-13-9-4-7-11-5-2-1-3-6-11;/h1-7H,8,10H2;/b7-4+;
InChIKeyMHHSICGGROKHRB-KQGICBIGSA-N
MW246.66 g/mol
LogP2.63
Rot. Bonds5

About [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium

[(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium (PubChem CID 11372600) has the molecular formula C11H11ClCrO and a molecular weight of 246.66 g/mol. Its IUPAC name is [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium.

Molecular Properties

Compound Name[(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium
PubChem CID11372600
Molecular FormulaC11H11ClCrO
Molecular Weight246.66 g/mol
Exact Mass245.99
IUPAC Name[(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium
SMILESClCCOC(=[Cr])/C=C/c1ccccc1
InChIInChI=1S/C11H11ClO.Cr/c12-8-10-13-9-4-7-11-5-2-1-3-6-11;/h1-7H,8,10H2;/b7-4+;
InChIKeyMHHSICGGROKHRB-KQGICBIGSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium
CID 11294529
2-(2-chloroethoxy)ethenylbenzene
CID 54340888
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
2-(chloromethoxy)ethenylbenzene
CID 54484183
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
(E)-2-(chloromethylidene)-4-phenylbut-3-en-1-amine
CID 174282038
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese
CID 11121228
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium?
The IUPAC name of [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium (CID 11372600) is [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium.
What is the SMILES notation for [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium?
The canonical SMILES for [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium is ClCCOC(=[Cr])/C=C/c1ccccc1.
What is the InChIKey of [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium?
The InChIKey is MHHSICGGROKHRB-KQGICBIGSA-N. The full InChI is InChI=1S/C11H11ClO.Cr/c12-8-10-13-9-4-7-11-5-2-1-3-6-11;/h1-7H,8,10H2;/b7-4+;.
What are the key properties of [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium?
[(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium has a molecular weight of 246.66 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium is sourced from PubChem (CID 11372600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).