2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde

C16H22O3 — CID 63862151

IUPAC2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde
SMILESCCC1CCCCC1Oc1cc(OC)ccc1C=O
InChIInChI=1S/C16H22O3/c1-3-12-6-4-5-7-15(12)19-16-10-14(18-2)9-8-13(16)11-17/h8-12,15H,3-7H2,1-2H3
InChIKeyNHHKXXRUFMVFFO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.86
Rot. Bonds5

About 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde

2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde (PubChem CID 63862151) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde
PubChem CID63862151
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde
SMILESCCC1CCCCC1Oc1cc(OC)ccc1C=O
InChIInChI=1S/C16H22O3/c1-3-12-6-4-5-7-15(12)19-16-10-14(18-2)9-8-13(16)11-17/h8-12,15H,3-7H2,1-2H3
InChIKeyNHHKXXRUFMVFFO-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
CID 63862291
3-[2-(2-ethylcyclohexyl)oxy-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706920
2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
CID 60883746
3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde
CID 63861606
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
1-ethyl-4-(2-ethylcyclohexyl)oxybenzene
CID 64764923
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 82967703
4-methoxy-2-(triaminomethoxy)benzaldehyde
CID 89196601
4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63863945

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde (CID 63862151) is 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde is CCC1CCCCC1Oc1cc(OC)ccc1C=O.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde?
The InChIKey is NHHKXXRUFMVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-12-6-4-5-7-15(12)19-16-10-14(18-2)9-8-13(16)11-17/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde?
2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde has a molecular weight of 262.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde is sourced from PubChem (CID 63862151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).