1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol

C14H20O2 — CID 116712560

IUPAC1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
SMILESCOC(C(O)Cc1ccc(C)cc1)C1CC1
InChIInChI=1S/C14H20O2/c1-10-3-5-11(6-4-10)9-13(15)14(16-2)12-7-8-12/h3-6,12-15H,7-9H2,1-2H3
InChIKeyKGNLIEIQEJRZTC-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.32
Rot. Bonds5

About 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol

1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol (PubChem CID 116712560) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
PubChem CID116712560
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
SMILESCOC(C(O)Cc1ccc(C)cc1)C1CC1
InChIInChI=1S/C14H20O2/c1-10-3-5-11(6-4-10)9-13(15)14(16-2)12-7-8-12/h3-6,12-15H,7-9H2,1-2H3
InChIKeyKGNLIEIQEJRZTC-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol 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-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 116712644
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
3-methoxy-1-(4-methylphenyl)pentan-2-ol
CID 116710820
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 116712400

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol (CID 116712560) is 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol is COC(C(O)Cc1ccc(C)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol?
The InChIKey is KGNLIEIQEJRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-3-5-11(6-4-10)9-13(15)14(16-2)12-7-8-12/h3-6,12-15H,7-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol?
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 116712560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).