2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde

C16H22O2 — CID 112610922

IUPAC2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde
SMILESCCC1CCCC(Oc2c(C)cccc2C=O)C1
InChIInChI=1S/C16H22O2/c1-3-13-7-5-9-15(10-13)18-16-12(2)6-4-8-14(16)11-17/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3
InChIKeyHSDWVUQBJRVPGG-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.16
Rot. Bonds4

About 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde

2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde (PubChem CID 112610922) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde
PubChem CID112610922
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde
SMILESCCC1CCCC(Oc2c(C)cccc2C=O)C1
InChIInChI=1S/C16H22O2/c1-3-13-7-5-9-15(10-13)18-16-12(2)6-4-8-14(16)11-17/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3
InChIKeyHSDWVUQBJRVPGG-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
CID 112607468
3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde
CID 79157029
3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 82827360
N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952728
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958688
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide
CID 112611155
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
CID 107669082
1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
CID 115495306

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde?
The IUPAC name of 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde (CID 112610922) is 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde.
What is the SMILES notation for 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde?
The canonical SMILES for 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde is CCC1CCCC(Oc2c(C)cccc2C=O)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde?
The InChIKey is HSDWVUQBJRVPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-13-7-5-9-15(10-13)18-16-12(2)6-4-8-14(16)11-17/h4,6,8,11,13,15H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde?
2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde has a molecular weight of 246.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde is sourced from PubChem (CID 112610922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).