4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol

C18H28O4 — CID 141401137

IUPAC4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(C)(O)CC1.COc1cc(C=O)ccc1O
InChIInChI=1S/C10H20O.C8H8O3/c1-8(2)9-4-6-10(3,11)7-5-9;1-11-8-4-6(5-9)2-3-7(8)10/h8-9,11H,4-7H2,1-3H3;2-5,10H,1H3
InChIKeyRKAGSDLVVUUDDK-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.80
Rot. Bonds3

About 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol

4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol (PubChem CID 141401137) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol
PubChem CID141401137
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(C)(O)CC1.COc1cc(C=O)ccc1O
InChIInChI=1S/C10H20O.C8H8O3/c1-8(2)9-4-6-10(3,11)7-5-9;1-11-8-4-6(5-9)2-3-7(8)10/h8-9,11H,4-7H2,1-3H3;2-5,10H,1H3
InChIKeyRKAGSDLVVUUDDK-UHFFFAOYSA-N
XLogP3.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 130345281
CID 130345281
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
4-[[(1S)-1-cyclohexylethyl]iminomethyl]-2-methoxyphenol
CID 139637264
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 170691361

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol (CID 141401137) is 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(C)(O)CC1.COc1cc(C=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is RKAGSDLVVUUDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C8H8O3/c1-8(2)9-4-6-10(3,11)7-5-9;1-11-8-4-6(5-9)2-3-7(8)10/h8-9,11H,4-7H2,1-3H3;2-5,10H,1H3.
What are the key properties of 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol?
4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxybenzaldehyde;1-methyl-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 141401137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).