4-(chloromethyl)-6-methoxy-2H-chromene

C11H11ClO2 — CID 10512661

IUPAC4-(chloromethyl)-6-methoxy-2H-chromene
SMILESCOc1ccc2c(c1)C(CCl)=CCO2
InChIInChI=1S/C11H11ClO2/c1-13-9-2-3-11-10(6-9)8(7-12)4-5-14-11/h2-4,6H,5,7H2,1H3
InChIKeyQLCYCTCRYMMTGK-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.71
Rot. Bonds2

About 4-(chloromethyl)-6-methoxy-2H-chromene

4-(chloromethyl)-6-methoxy-2H-chromene (PubChem CID 10512661) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-(chloromethyl)-6-methoxy-2H-chromene.

Molecular Properties

Compound Name4-(chloromethyl)-6-methoxy-2H-chromene
PubChem CID10512661
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name4-(chloromethyl)-6-methoxy-2H-chromene
SMILESCOc1ccc2c(c1)C(CCl)=CCO2
InChIInChI=1S/C11H11ClO2/c1-13-9-2-3-11-10(6-9)8(7-12)4-5-14-11/h2-4,6H,5,7H2,1H3
InChIKeyQLCYCTCRYMMTGK-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6H-benzo[c]chromene
CID 10798586
6-methoxy-2,3-dihydrochromen-4-imine
CID 70307921
7,15-dimethoxy-11-oxatetracyclo[11.4.0.02,4.05,10]heptadeca-1(13),2(4),5(10),6,8,14,16-heptaen-3-one
CID 102343711
2-(5-methoxy-1-benzofuran-3-ylidene)acetonitrile
CID 71437088
8-methoxy-2,3,4,4a-tetrahydrodibenzofuran
CID 132551852
(7-methoxy-2H-chromen-4-yl) trifluoromethanesulfonate
CID 155625221
(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6449188
2-chloro-5-methoxy-1-benzofuran-3-one
CID 46187269
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol
CID 122501736
1-(3-methoxyphenyl)-3H-benzo[f]chromene
CID 155141802
1-[(6-ethoxy-2H-chromen-4-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-3-ium chloride
CID 138757245
5-methoxy-1-benzofuran-2,3-dione
CID 153138791

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-methoxy-2H-chromene?
The IUPAC name of 4-(chloromethyl)-6-methoxy-2H-chromene (CID 10512661) is 4-(chloromethyl)-6-methoxy-2H-chromene.
What is the SMILES notation for 4-(chloromethyl)-6-methoxy-2H-chromene?
The canonical SMILES for 4-(chloromethyl)-6-methoxy-2H-chromene is COc1ccc2c(c1)C(CCl)=CCO2.
What is the InChIKey of 4-(chloromethyl)-6-methoxy-2H-chromene?
The InChIKey is QLCYCTCRYMMTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-13-9-2-3-11-10(6-9)8(7-12)4-5-14-11/h2-4,6H,5,7H2,1H3.
What are the key properties of 4-(chloromethyl)-6-methoxy-2H-chromene?
4-(chloromethyl)-6-methoxy-2H-chromene has a molecular weight of 210.66 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-methoxy-2H-chromene is sourced from PubChem (CID 10512661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).