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

C18H19ClO — CID 106893808

IUPAC2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(C(Cl)C2Cc3ccccc3C2)cc1C
InChIInChI=1S/C18H19ClO/c1-12-9-15(7-8-17(12)20-2)18(19)16-10-13-5-3-4-6-14(13)11-16/h3-9,16,18H,10-11H2,1-2H3
InChIKeyOSJWDJGKYVMYQH-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.70
Rot. Bonds3

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

2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 106893808) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID106893808
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCOc1ccc(C(Cl)C2Cc3ccccc3C2)cc1C
InChIInChI=1S/C18H19ClO/c1-12-9-15(7-8-17(12)20-2)18(19)16-10-13-5-3-4-6-14(13)11-16/h3-9,16,18H,10-11H2,1-2H3
InChIKeyOSJWDJGKYVMYQH-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

[chloro-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020691
2-[chloro-(3-chloro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127418
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893815
2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893752
2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 106893940
2-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 106893992
3-[chloro-(4-methoxy-3-methylphenyl)methyl]thiolane 1,1-dioxide
CID 62131365
7-[bromo-(4-methoxy-3-methylphenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66395778
4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 79699671
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434748
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442838

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 106893808) is 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene is COc1ccc(C(Cl)C2Cc3ccccc3C2)cc1C.
What is the InChIKey of 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is OSJWDJGKYVMYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-12-9-15(7-8-17(12)20-2)18(19)16-10-13-5-3-4-6-14(13)11-16/h3-9,16,18H,10-11H2,1-2H3.
What are the key properties of 2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
2-[chloro-(4-methoxy-3-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-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 106893808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).