(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone

C12H13ClO3 — CID 82268057

IUPAC(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
SMILESCOc1cc(C(=O)C2CC2)c(OC)cc1Cl
InChIInChI=1S/C12H13ClO3/c1-15-10-6-9(13)11(16-2)5-8(10)12(14)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyBKSCUYNBZWVFOQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.95
Rot. Bonds4

About (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone

(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone (PubChem CID 82268057) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
PubChem CID82268057
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
SMILESCOc1cc(C(=O)C2CC2)c(OC)cc1Cl
InChIInChI=1S/C12H13ClO3/c1-15-10-6-9(13)11(16-2)5-8(10)12(14)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyBKSCUYNBZWVFOQ-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-methoxy-5-methylphenyl)-cyclopropylmethanone;(5-chloro-2-methoxy-4-methylphenyl)-cyclopropylmethanone;ethane
CID 143337733
azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
CID 116916762
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
(2-chloro-4,5-dimethoxyphenyl)-(1,1-dioxothiolan-3-yl)methanone
CID 64913790
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770
(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone
CID 90303693
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone?
The IUPAC name of (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone (CID 82268057) is (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone is COc1cc(C(=O)C2CC2)c(OC)cc1Cl.
What is the InChIKey of (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone?
The InChIKey is BKSCUYNBZWVFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-15-10-6-9(13)11(16-2)5-8(10)12(14)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone?
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone has a molecular weight of 240.69 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 82268057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).