(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone

C16H22O3 — CID 104610261

IUPAC(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2(OC)CCCC2)cc1C
InChIInChI=1S/C16H22O3/c1-11-10-14(18-3)12(2)9-13(11)15(17)16(19-4)7-5-6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyAHVGBTCZRFPSPH-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds4

About (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone

(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 104610261) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID104610261
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2(OC)CCCC2)cc1C
InChIInChI=1S/C16H22O3/c1-11-10-14(18-3)12(2)9-13(11)15(17)16(19-4)7-5-6-8-16/h9-10H,5-8H2,1-4H3
InChIKeyAHVGBTCZRFPSPH-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982073
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116603132
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
(4,5-dimethoxy-2-methylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921139

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone (CID 104610261) is (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)C2(OC)CCCC2)cc1C.
What is the InChIKey of (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is AHVGBTCZRFPSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-10-14(18-3)12(2)9-13(11)15(17)16(19-4)7-5-6-8-16/h9-10H,5-8H2,1-4H3.
What are the key properties of (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 104610261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).