(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol

C18H28O3 — CID 104659592

IUPAC(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28O3/c1-18(2)10-8-14(9-11-18)17(19)15-6-4-5-7-16(15)21-13-12-20-3/h4-7,14,17,19H,8-13H2,1-3H3
InChIKeyGAWNZDAASNMQIQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.96
Rot. Bonds6

About (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol

(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol (PubChem CID 104659592) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
PubChem CID104659592
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28O3/c1-18(2)10-8-14(9-11-18)17(19)15-6-4-5-7-16(15)21-13-12-20-3/h4-7,14,17,19H,8-13H2,1-3H3
InChIKeyGAWNZDAASNMQIQ-UHFFFAOYSA-N
XLogP3.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 116753305
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
(2-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 62801891
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
1-[2-(2-methoxyethoxy)phenyl]-2-(oxan-2-yl)ethanol
CID 104659735
4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-ol
CID 105125505
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
(3-methylcyclohexyl)-(2-propoxyphenyl)methanol
CID 104658787

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The IUPAC name of (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol (CID 104659592) is (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The canonical SMILES for (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol is COCCOc1ccccc1C(O)C1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The InChIKey is GAWNZDAASNMQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-18(2)10-8-14(9-11-18)17(19)15-6-4-5-7-16(15)21-13-12-20-3/h4-7,14,17,19H,8-13H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol?
(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol has a molecular weight of 292.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol is sourced from PubChem (CID 104659592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).