1H-inden-1-yl 2-propan-2-yloxybenzoate

C19H18O3 — CID 175280378

IUPAC1H-inden-1-yl 2-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccccc1C(=O)OC1C=Cc2ccccc21
InChIInChI=1S/C19H18O3/c1-13(2)21-17-10-6-5-9-16(17)19(20)22-18-12-11-14-7-3-4-8-15(14)18/h3-13,18H,1-2H3
InChIKeyLJYYSOPHMFHCMT-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.40
Rot. Bonds4

About 1H-inden-1-yl 2-propan-2-yloxybenzoate

1H-inden-1-yl 2-propan-2-yloxybenzoate (PubChem CID 175280378) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1H-inden-1-yl 2-propan-2-yloxybenzoate.

Molecular Properties

Compound Name1H-inden-1-yl 2-propan-2-yloxybenzoate
PubChem CID175280378
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name1H-inden-1-yl 2-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccccc1C(=O)OC1C=Cc2ccccc21
InChIInChI=1S/C19H18O3/c1-13(2)21-17-10-6-5-9-16(17)19(20)22-18-12-11-14-7-3-4-8-15(14)18/h3-13,18H,1-2H3
InChIKeyLJYYSOPHMFHCMT-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134849846
2-propan-2-yloxybenzoyl chloride
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CID 66629297
1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate
CID 174707762
propyl 2-propan-2-yloxybenzoate
CID 82186328
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924
(2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate
CID 23013091
(3,5-dichloro-4-methylphenyl) 2-propan-2-yloxybenzoate
CID 23013103
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yl 2-propan-2-yloxybenzoate?
The IUPAC name of 1H-inden-1-yl 2-propan-2-yloxybenzoate (CID 175280378) is 1H-inden-1-yl 2-propan-2-yloxybenzoate.
What is the SMILES notation for 1H-inden-1-yl 2-propan-2-yloxybenzoate?
The canonical SMILES for 1H-inden-1-yl 2-propan-2-yloxybenzoate is CC(C)Oc1ccccc1C(=O)OC1C=Cc2ccccc21.
What is the InChIKey of 1H-inden-1-yl 2-propan-2-yloxybenzoate?
The InChIKey is LJYYSOPHMFHCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-13(2)21-17-10-6-5-9-16(17)19(20)22-18-12-11-14-7-3-4-8-15(14)18/h3-13,18H,1-2H3.
What are the key properties of 1H-inden-1-yl 2-propan-2-yloxybenzoate?
1H-inden-1-yl 2-propan-2-yloxybenzoate has a molecular weight of 294.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl 2-propan-2-yloxybenzoate is sourced from PubChem (CID 175280378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).