1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone

C16H22O3 — CID 117052296

IUPAC1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OC1(C)CCCCC1
InChIInChI=1S/C16H22O3/c1-12(17)13-7-8-14(15(11-13)18-3)19-16(2)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyMGXAEZXMJWGCNO-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.00
Rot. Bonds4

About 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone

1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone (PubChem CID 117052296) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone
PubChem CID117052296
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OC1(C)CCCCC1
InChIInChI=1S/C16H22O3/c1-12(17)13-7-8-14(15(11-13)18-3)19-16(2)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyMGXAEZXMJWGCNO-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid
CID 117045757
1-[3-methoxy-4-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]oxy]phenyl]ethanone
CID 167313160
3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid
CID 117096689
1-[4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-methoxyphenyl]ethanone
CID 65008577
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide
CID 17474380
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanone
CID 116521891
4-(1-methylcyclopentyl)oxybenzoic acid
CID 117045761
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone (CID 117052296) is 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OC1(C)CCCCC1.
What is the InChIKey of 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone?
The InChIKey is MGXAEZXMJWGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(17)13-7-8-14(15(11-13)18-3)19-16(2)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone?
1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone is sourced from PubChem (CID 117052296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).