1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol

C15H22O3 — CID 117379471

IUPAC1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)c(C(C)C)cc1OC
InChIInChI=1S/C15H22O3/c1-10(2)12-8-14(18-4)13(17-3)7-11(12)9-15(16)5-6-15/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyUEJCTBXMIXVBGT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.89
Rot. Bonds5

About 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol

1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117379471) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
PubChem CID117379471
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)c(C(C)C)cc1OC
InChIInChI=1S/C15H22O3/c1-10(2)12-8-14(18-4)13(17-3)7-11(12)9-15(16)5-6-15/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyUEJCTBXMIXVBGT-UHFFFAOYSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-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-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117322636
1-[(5-ethoxy-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117345254
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117328612
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117374425
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol
CID 117354218
1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117322147
2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol (CID 117379471) is 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol is COc1cc(CC2(O)CC2)c(C(C)C)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is UEJCTBXMIXVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)12-8-14(18-4)13(17-3)7-11(12)9-15(16)5-6-15/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117379471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).