1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol

C14H20O3 — CID 106929817

IUPAC1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCOCC2CC2)c1
InChIInChI=1S/C14H20O3/c1-10-3-6-13(11(2)15)14(7-10)17-9-16-8-12-4-5-12/h3,6-7,11-12,15H,4-5,8-9H2,1-2H3
InChIKeyBSFGTJSWYGSGST-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.81
Rot. Bonds6

About 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol

1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol (PubChem CID 106929817) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
PubChem CID106929817
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCOCC2CC2)c1
InChIInChI=1S/C14H20O3/c1-10-3-6-13(11(2)15)14(7-10)17-9-16-8-12-4-5-12/h3,6-7,11-12,15H,4-5,8-9H2,1-2H3
InChIKeyBSFGTJSWYGSGST-UHFFFAOYSA-N
XLogP2.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol 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

1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine
CID 106929334
(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
CID 106929847
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
2-(cyclopropylmethoxymethoxy)-4-methylaniline
CID 106928951
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
CID 106929188
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
2-(chloromethyl)-1-(cyclopropylmethoxymethoxy)-4-methylbenzene
CID 106929904
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol?
The IUPAC name of 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol (CID 106929817) is 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol is Cc1ccc(C(C)O)c(OCOCC2CC2)c1.
What is the InChIKey of 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol?
The InChIKey is BSFGTJSWYGSGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-3-6-13(11(2)15)14(7-10)17-9-16-8-12-4-5-12/h3,6-7,11-12,15H,4-5,8-9H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol?
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol is sourced from PubChem (CID 106929817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).