1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol

C15H22O2 — CID 116712521

IUPAC1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C15H22O2/c1-10-4-5-12(8-11(10)2)9-14(16)15(17-3)13-6-7-13/h4-5,8,13-16H,6-7,9H2,1-3H3
InChIKeyMWBABFMOWLCSQO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds5

About 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol

1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol (PubChem CID 116712521) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
PubChem CID116712521
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C15H22O2/c1-10-4-5-12(8-11(10)2)9-14(16)15(17-3)13-6-7-13/h4-5,8,13-16H,6-7,9H2,1-3H3
InChIKeyMWBABFMOWLCSQO-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
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
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410724
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol
CID 64515372

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol?
The IUPAC name of 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol (CID 116712521) is 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol.
What is the SMILES notation for 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol?
The canonical SMILES for 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol is COC(C(O)Cc1ccc(C)c(C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol?
The InChIKey is MWBABFMOWLCSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-4-5-12(8-11(10)2)9-14(16)15(17-3)13-6-7-13/h4-5,8,13-16H,6-7,9H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol?
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol is sourced from PubChem (CID 116712521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).