(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone

C17H24O4 — CID 116750527

IUPAC(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
SMILESCOc1ccc(C(=O)C2(OC)CCCCCC2)c(OC)c1
InChIInChI=1S/C17H24O4/c1-19-13-8-9-14(15(12-13)20-2)16(18)17(21-3)10-6-4-5-7-11-17/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyFDVMVITZRXARHI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.63
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone

(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone (PubChem CID 116750527) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
PubChem CID116750527
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
SMILESCOc1ccc(C(=O)C2(OC)CCCCCC2)c(OC)c1
InChIInChI=1S/C17H24O4/c1-19-13-8-9-14(15(12-13)20-2)16(18)17(21-3)10-6-4-5-7-11-17/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyFDVMVITZRXARHI-UHFFFAOYSA-N
XLogP3.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
CID 173194952
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 113432662
(2,4-dimethoxyphenyl)-piperidin-1-ylmethanethione
CID 15398722

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone (CID 116750527) is (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone is COc1ccc(C(=O)C2(OC)CCCCCC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone?
The InChIKey is FDVMVITZRXARHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-19-13-8-9-14(15(12-13)20-2)16(18)17(21-3)10-6-4-5-7-11-17/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone?
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone has a molecular weight of 292.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone is sourced from PubChem (CID 116750527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).