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

C17H17ClO2 — CID 61085686

IUPAC6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccc(C(Cl)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C17H17ClO2/c1-19-15-7-4-12(5-8-15)17(18)14-6-9-16-13(11-14)3-2-10-20-16/h4-9,11,17H,2-3,10H2,1H3
InChIKeyKISXMNLPHCGUCV-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.35
Rot. Bonds3

About 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene

6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 61085686) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID61085686
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccc(C(Cl)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C17H17ClO2/c1-19-15-7-4-12(5-8-15)17(18)14-6-9-16-13(11-14)3-2-10-20-16/h4-9,11,17H,2-3,10H2,1H3
InChIKeyKISXMNLPHCGUCV-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.35
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

6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
CID 61026713
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435190
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760
6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene (CID 61085686) is 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene is COc1ccc(C(Cl)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is KISXMNLPHCGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-19-15-7-4-12(5-8-15)17(18)14-6-9-16-13(11-14)3-2-10-20-16/h4-9,11,17H,2-3,10H2,1H3.
What are the key properties of 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 288.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 61085686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).