(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone

C13H15ClO2 — CID 82292335

IUPAC(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
SMILESCC(C)Oc1ccc(C(=O)C2CC2)cc1Cl
InChIInChI=1S/C13H15ClO2/c1-8(2)16-12-6-5-10(7-11(12)14)13(15)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyCHMBFFARABSOCT-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.72
Rot. Bonds4

About (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone

(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone (PubChem CID 82292335) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
PubChem CID82292335
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
SMILESCC(C)Oc1ccc(C(=O)C2CC2)cc1Cl
InChIInChI=1S/C13H15ClO2/c1-8(2)16-12-6-5-10(7-11(12)14)13(15)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyCHMBFFARABSOCT-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82152488
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79697155
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propan-2-yloxybenzamide
CID 110762432
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709
3-(azepan-1-yl)-1-(3-chloro-4-propan-2-yloxyphenyl)propan-1-one
CID 82052934
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
ethane;(2,3,4,5,6-pentafluorophenyl) 3-chloro-4-propan-2-yloxybenzoate
CID 143135030
1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 82052943
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone?
The IUPAC name of (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone (CID 82292335) is (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone is CC(C)Oc1ccc(C(=O)C2CC2)cc1Cl.
What is the InChIKey of (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone?
The InChIKey is CHMBFFARABSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-8(2)16-12-6-5-10(7-11(12)14)13(15)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone?
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone has a molecular weight of 238.71 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 82292335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).