(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone

C15H20O2 — CID 82289722

IUPAC(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
SMILESCc1cc(C(=O)C2(C)CC2)ccc1OC(C)C
InChIInChI=1S/C15H20O2/c1-10(2)17-13-6-5-12(9-11(13)3)14(16)15(4)7-8-15/h5-6,9-10H,7-8H2,1-4H3
InChIKeyWIMUDNGYQCEZSD-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.77
Rot. Bonds4

About (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone

(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone (PubChem CID 82289722) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
PubChem CID82289722
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
SMILESCc1cc(C(=O)C2(C)CC2)ccc1OC(C)C
InChIInChI=1S/C15H20O2/c1-10(2)17-13-6-5-12(9-11(13)3)14(16)15(4)7-8-15/h5-6,9-10H,7-8H2,1-4H3
InChIKeyWIMUDNGYQCEZSD-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
2-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 82285504
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532
1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid
CID 117373867
2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
CID 110801450
2-(dipropylamino)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051566
3-methyl-4-propan-2-yloxybenzenecarboximidamide
CID 60929364

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone (CID 82289722) is (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone is Cc1cc(C(=O)C2(C)CC2)ccc1OC(C)C.
What is the InChIKey of (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The InChIKey is WIMUDNGYQCEZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)17-13-6-5-12(9-11(13)3)14(16)15(4)7-8-15/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone?
(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 82289722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).