(1-butyl-6-methoxyinden-1-yl) acetate

C16H20O3 — CID 102387689

IUPAC(1-butyl-6-methoxyinden-1-yl) acetate
SMILESCCCCC1(OC(C)=O)C=Cc2ccc(OC)cc21
InChIInChI=1S/C16H20O3/c1-4-5-9-16(19-12(2)17)10-8-13-6-7-14(18-3)11-15(13)16/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyWJGDBGHJWSHZGH-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.67
Rot. Bonds5

About (1-butyl-6-methoxyinden-1-yl) acetate

(1-butyl-6-methoxyinden-1-yl) acetate (PubChem CID 102387689) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1-butyl-6-methoxyinden-1-yl) acetate.

Molecular Properties

Compound Name(1-butyl-6-methoxyinden-1-yl) acetate
PubChem CID102387689
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1-butyl-6-methoxyinden-1-yl) acetate
SMILESCCCCC1(OC(C)=O)C=Cc2ccc(OC)cc21
InChIInChI=1S/C16H20O3/c1-4-5-9-16(19-12(2)17)10-8-13-6-7-14(18-3)11-15(13)16/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyWJGDBGHJWSHZGH-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-amino-5-methoxyinden-1-yl]ethanone
CID 141269565
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
1-[4-methoxy-2-[(E)-1-methoxypent-1-enyl]phenyl]ethanone
CID 166812521
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
1-(2-butoxy-5-methoxyphenyl)propane-1,2-dione
CID 156703603
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
2-butoxy-5-methoxybenzoic acid
CID 43213162
4,4-dihexyl-6-methoxy-1H-3,1-benzoxazin-2-one
CID 13260475
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
(2,4-dimethoxyphenyl) pentanoate
CID 91361677
2-(1-methoxyinden-1-yl)acetic acid
CID 13445754

Frequently Asked Questions

What is the IUPAC name of (1-butyl-6-methoxyinden-1-yl) acetate?
The IUPAC name of (1-butyl-6-methoxyinden-1-yl) acetate (CID 102387689) is (1-butyl-6-methoxyinden-1-yl) acetate.
What is the SMILES notation for (1-butyl-6-methoxyinden-1-yl) acetate?
The canonical SMILES for (1-butyl-6-methoxyinden-1-yl) acetate is CCCCC1(OC(C)=O)C=Cc2ccc(OC)cc21.
What is the InChIKey of (1-butyl-6-methoxyinden-1-yl) acetate?
The InChIKey is WJGDBGHJWSHZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-5-9-16(19-12(2)17)10-8-13-6-7-14(18-3)11-15(13)16/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of (1-butyl-6-methoxyinden-1-yl) acetate?
(1-butyl-6-methoxyinden-1-yl) acetate has a molecular weight of 260.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-6-methoxyinden-1-yl) acetate is sourced from PubChem (CID 102387689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).