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

C19H21ClO — CID 63444363

IUPAC5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCCOc1ccc(C)cc1C(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H21ClO/c1-3-21-18-10-7-13(2)11-17(18)19(20)16-9-8-14-5-4-6-15(14)12-16/h7-12,19H,3-6H2,1-2H3
InChIKeyCXMCCNJEDQLCTJ-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.21
Rot. Bonds4

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

5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63444363) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63444363
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCCOc1ccc(C)cc1C(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H21ClO/c1-3-21-18-10-7-13(2)11-17(18)19(20)16-9-8-14-5-4-6-15(14)12-16/h7-12,19H,3-6H2,1-2H3
InChIKeyCXMCCNJEDQLCTJ-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.21
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-ethoxy-5-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene
CID 63443871
2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene
CID 82879816
4-bromo-2-[chloro-(4-methylphenyl)methyl]-1-ethoxybenzene
CID 63434314
(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43311398
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435190
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
(1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol
CID 78965236
2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
CID 104661476
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 63444363) is 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene is CCOc1ccc(C)cc1C(Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is CXMCCNJEDQLCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c1-3-21-18-10-7-13(2)11-17(18)19(20)16-9-8-14-5-4-6-15(14)12-16/h7-12,19H,3-6H2,1-2H3.
What are the key properties of 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene?
5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 300.83 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63444363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).