2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one

C18H26O3 — CID 82185931

IUPAC2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one
SMILESCCOc1cc(CC2CCCCC2=O)ccc1OC(C)C
InChIInChI=1S/C18H26O3/c1-4-20-18-12-14(9-10-17(18)21-13(2)3)11-15-7-5-6-8-16(15)19/h9-10,12-13,15H,4-8,11H2,1-3H3
InChIKeySXMPAOMIBKGBIZ-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.17
Rot. Bonds6

About 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one

2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one (PubChem CID 82185931) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one
PubChem CID82185931
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one
SMILESCCOc1cc(CC2CCCCC2=O)ccc1OC(C)C
InChIInChI=1S/C18H26O3/c1-4-20-18-12-14(9-10-17(18)21-13(2)3)11-15-7-5-6-8-16(15)19/h9-10,12-13,15H,4-8,11H2,1-3H3
InChIKeySXMPAOMIBKGBIZ-UHFFFAOYSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
CID 82160972
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440
2-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 15472354
1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 3052872
2-[(4-pentoxyphenyl)methyl]cyclohexan-1-one
CID 82185917
1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638336
methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
CID 82186161
1-[[3,4-di(propan-2-yloxy)phenyl]methyl]-6,7-diethoxy-3,4-dihydroisoquinoline
CID 3052866
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one (CID 82185931) is 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one is CCOc1cc(CC2CCCCC2=O)ccc1OC(C)C.
What is the InChIKey of 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one?
The InChIKey is SXMPAOMIBKGBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-20-18-12-14(9-10-17(18)21-13(2)3)11-15-7-5-6-8-16(15)19/h9-10,12-13,15H,4-8,11H2,1-3H3.
What are the key properties of 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one?
2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one has a molecular weight of 290.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 82185931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).