(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone

C18H26O3 — CID 116750804

IUPAC(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(OC)cc2C)CCCCCC1
InChIInChI=1S/C18H26O3/c1-4-21-18(11-7-5-6-8-12-18)17(19)16-10-9-15(20-3)13-14(16)2/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyFQEZMOWFRZYAQG-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.32
Rot. Bonds5

About (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone

(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone (PubChem CID 116750804) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
PubChem CID116750804
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(OC)cc2C)CCCCCC1
InChIInChI=1S/C18H26O3/c1-4-21-18(11-7-5-6-8-12-18)17(19)16-10-9-15(20-3)13-14(16)2/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyFQEZMOWFRZYAQG-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone (CID 116750804) is (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone is CCOC1(C(=O)c2ccc(OC)cc2C)CCCCCC1.
What is the InChIKey of (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is FQEZMOWFRZYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-21-18(11-7-5-6-8-12-18)17(19)16-10-9-15(20-3)13-14(16)2/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone?
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 290.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 116750804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).