6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene

C17H15ClO — CID 46866914

IUPAC6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene
SMILESCOc1ccc(C2C(C)=Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H15ClO/c1-11-9-13-3-6-14(18)10-16(13)17(11)12-4-7-15(19-2)8-5-12/h3-10,17H,1-2H3
InChIKeyXGNKCCCQRYXKRJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.90
Rot. Bonds2

About 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene

6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene (PubChem CID 46866914) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene.

Molecular Properties

Compound Name6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene
PubChem CID46866914
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene
SMILESCOc1ccc(C2C(C)=Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H15ClO/c1-11-9-13-3-6-14(18)10-16(13)17(11)12-4-7-15(19-2)8-5-12/h3-10,17H,1-2H3
InChIKeyXGNKCCCQRYXKRJ-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-6-methoxy-2-methyl-1H-indene
CID 46867285
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CID 83970620
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 15566168
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2,5-dimethyl-1-phenyl-1H-indene
CID 173186608
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929817
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
3-chloro-6-methoxy-9H-xanthen-9-ol
CID 21482902
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene?
The IUPAC name of 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene (CID 46866914) is 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene.
What is the SMILES notation for 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene?
The canonical SMILES for 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene is COc1ccc(C2C(C)=Cc3ccc(Cl)cc32)cc1.
What is the InChIKey of 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene?
The InChIKey is XGNKCCCQRYXKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO/c1-11-9-13-3-6-14(18)10-16(13)17(11)12-4-7-15(19-2)8-5-12/h3-10,17H,1-2H3.
What are the key properties of 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene?
6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene has a molecular weight of 270.76 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene is sourced from PubChem (CID 46866914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).