5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene

C18H19ClO — CID 63430106

IUPAC5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(C(Cl)c2ccc3c(c2)CCC3)c(C)c1
InChIInChI=1S/C18H19ClO/c1-12-10-16(20-2)8-9-17(12)18(19)15-7-6-13-4-3-5-14(13)11-15/h6-11,18H,3-5H2,1-2H3
InChIKeyAAEYDUMPYXFCTG-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.82
Rot. Bonds3

About 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene

5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63430106) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63430106
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(C(Cl)c2ccc3c(c2)CCC3)c(C)c1
InChIInChI=1S/C18H19ClO/c1-12-10-16(20-2)8-9-17(12)18(19)15-7-6-13-4-3-5-14(13)11-15/h6-11,18H,3-5H2,1-2H3
InChIKeyAAEYDUMPYXFCTG-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
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-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 61082278
5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 115369816
1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430237
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430805
1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene
CID 63430104
5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81473689
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186404
1-[chloro-(3-propan-2-yloxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430154
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 63430106) is 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene is COc1ccc(C(Cl)c2ccc3c(c2)CCC3)c(C)c1.
What is the InChIKey of 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is AAEYDUMPYXFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-12-10-16(20-2)8-9-17(12)18(19)15-7-6-13-4-3-5-14(13)11-15/h6-11,18H,3-5H2,1-2H3.
What are the key properties of 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene?
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 286.80 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63430106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).