2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde

C15H20O3 — CID 139595164

IUPAC2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(C(C=O)C2(O)CCCCC2)cc1
InChIInChI=1S/C15H20O3/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,11,14,17H,2-4,9-10H2,1H3
InChIKeyGWUHRVOHFDNAQX-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.67
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde

2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde (PubChem CID 139595164) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde
PubChem CID139595164
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(C(C=O)C2(O)CCCCC2)cc1
InChIInChI=1S/C15H20O3/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,11,14,17H,2-4,9-10H2,1H3
InChIKeyGWUHRVOHFDNAQX-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
1-[2-dimethylarsanyl-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 87689305
methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
CID 134968785
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103
[(2S)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-bis(trideuteriomethyl)azanium
CID 59807272
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-[2-[bis(trideuteriomethyl)amino]-1,2,2-trideuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 59838744
1-[1-(4-methoxyphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 59838669
1-[2-[bis(trideuteriomethyl)amino]-1-deuterio-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 59838695
1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 57165649
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
(E)-but-2-enedioic acid;[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methoxybenzoate
CID 71655996

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde (CID 139595164) is 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde is COc1ccc(C(C=O)C2(O)CCCCC2)cc1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde?
The InChIKey is GWUHRVOHFDNAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,11,14,17H,2-4,9-10H2,1H3.
What are the key properties of 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde?
2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde has a molecular weight of 248.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 139595164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).