(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde

C16H22O3 — CID 11230796

IUPAC(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde
SMILESCOc1ccc(CO[C@@H](C=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22O3/c1-18-15-9-7-13(8-10-15)12-19-16(11-17)14-5-3-2-4-6-14/h7-11,14,16H,2-6,12H2,1H3/t16-/m0/s1
InChIKeyVANLUPLPPLEOPF-INIZCTEOSA-N
MW262.35 g/mol
LogP3.36
Rot. Bonds6

About (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde

(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde (PubChem CID 11230796) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde
PubChem CID11230796
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde
SMILESCOc1ccc(CO[C@@H](C=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22O3/c1-18-15-9-7-13(8-10-15)12-19-16(11-17)14-5-3-2-4-6-14/h7-11,14,16H,2-6,12H2,1H3/t16-/m0/s1
InChIKeyVANLUPLPPLEOPF-INIZCTEOSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde?
The IUPAC name of (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde (CID 11230796) is (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde?
The canonical SMILES for (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde is COc1ccc(CO[C@@H](C=O)C2CCCCC2)cc1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde?
The InChIKey is VANLUPLPPLEOPF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-15-9-7-13(8-10-15)12-19-16(11-17)14-5-3-2-4-6-14/h7-11,14,16H,2-6,12H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde?
(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde has a molecular weight of 262.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde is sourced from PubChem (CID 11230796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).