(4-chloro-3-methoxyphenyl)-cyclopropylmethanone

C11H11ClO2 — CID 79700352

IUPAC(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
SMILESCOc1cc(C(=O)C2CC2)ccc1Cl
InChIInChI=1S/C11H11ClO2/c1-14-10-6-8(4-5-9(10)12)11(13)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyNVLVXATWLNMAMC-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.94
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-cyclopropylmethanone

(4-chloro-3-methoxyphenyl)-cyclopropylmethanone (PubChem CID 79700352) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
PubChem CID79700352
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
SMILESCOc1cc(C(=O)C2CC2)ccc1Cl
InChIInChI=1S/C11H11ClO2/c1-14-10-6-8(4-5-9(10)12)11(13)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyNVLVXATWLNMAMC-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79697155
(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 79697699
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone
CID 116589251
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950
oxan-4-yl 4-chloro-3-methoxybenzoate
CID 75496715
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-cyclopropylmethanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-cyclopropylmethanone (CID 79700352) is (4-chloro-3-methoxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-cyclopropylmethanone is COc1cc(C(=O)C2CC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-cyclopropylmethanone?
The InChIKey is NVLVXATWLNMAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-14-10-6-8(4-5-9(10)12)11(13)7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-cyclopropylmethanone?
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone has a molecular weight of 210.66 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 79700352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).