2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene

C18H19ClO — CID 106893815

IUPAC2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(C)cc1C(Cl)C1Cc2ccccc2C1
InChIInChI=1S/C18H19ClO/c1-12-7-8-17(20-2)16(9-12)18(19)15-10-13-5-3-4-6-14(13)11-15/h3-9,15,18H,10-11H2,1-2H3
InChIKeyYGFRQCPVHJUESR-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.70
Rot. Bonds3

About 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene

2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 106893815) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID106893815
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(C)cc1C(Cl)C1Cc2ccccc2C1
InChIInChI=1S/C18H19ClO/c1-12-7-8-17(20-2)16(9-12)18(19)15-10-13-5-3-4-6-14(13)11-15/h3-9,15,18H,10-11H2,1-2H3
InChIKeyYGFRQCPVHJUESR-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.70
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

2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893752
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893771
2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 106893940
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893808
1-(2,3-dihydro-1H-inden-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 65409528
2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105143996
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-methoxy-4-methylbenzene
CID 79217079
[2,3-dihydro-1-benzofuran-2-yl-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105262926
2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
CID 63434775
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 106893815) is 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene is COc1ccc(C)cc1C(Cl)C1Cc2ccccc2C1.
What is the InChIKey of 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is YGFRQCPVHJUESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-12-7-8-17(20-2)16(9-12)18(19)15-10-13-5-3-4-6-14(13)11-15/h3-9,15,18H,10-11H2,1-2H3.
What are the key properties of 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene?
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 286.80 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 106893815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).