4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene

C17H16Cl2O2 — CID 63709933

IUPAC4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccc(C(Cl)C2CCOc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H16Cl2O2/c1-20-11-6-7-14(15(18)10-11)17(19)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17H,8-9H2,1H3
InChIKeyFOPPDLNWWMGLAN-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.19
Rot. Bonds3

About 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene

4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 63709933) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID63709933
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccc(C(Cl)C2CCOc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H16Cl2O2/c1-20-11-6-7-14(15(18)10-11)17(19)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17H,8-9H2,1H3
InChIKeyFOPPDLNWWMGLAN-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.19
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-[chloro-(2-chloro-4-methoxyphenyl)methyl]-5-methyloxolane
CID 81326929
4-[chloro-(2,5-dibromothiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 55226474
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
[chloro-(2-chloro-4-methoxyphenyl)methyl]cycloheptane
CID 55200253
4-[bromo-(3-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63711003
3-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115484743
4-[chloro-(3,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 81158637
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 63710100
(4S)-4-[(1R)-1-nitroethyl]-3,4-dihydro-2H-chromene
CID 57342248
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
CID 43723819
4-[bromo-(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63710823

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene (CID 63709933) is 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene is COc1ccc(C(Cl)C2CCOc3ccccc32)c(Cl)c1.
What is the InChIKey of 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is FOPPDLNWWMGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-20-11-6-7-14(15(18)10-11)17(19)13-8-9-21-16-5-3-2-4-12(13)16/h2-7,10,13,17H,8-9H2,1H3.
What are the key properties of 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 323.22 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(2-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63709933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).