1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol

C12H16O3 — CID 117297692

IUPAC1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)cc(OC)c1
InChIInChI=1S/C12H16O3/c1-14-10-5-9(6-11(7-10)15-2)8-12(13)3-4-12/h5-7,13H,3-4,8H2,1-2H3
InChIKeyNZHTXGSXAVKCPQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.77
Rot. Bonds4

About 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol

1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117297692) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117297692
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)cc(OC)c1
InChIInChI=1S/C12H16O3/c1-14-10-5-9(6-11(7-10)15-2)8-12(13)3-4-12/h5-7,13H,3-4,8H2,1-2H3
InChIKeyNZHTXGSXAVKCPQ-UHFFFAOYSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117333318
1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117328603
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117488242
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
CID 81042741
1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117384891
(1R)-7-bromo-1-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroinden-1-ol
CID 125481616
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol (CID 117297692) is 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol is COc1cc(CC2(O)CC2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is NZHTXGSXAVKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-14-10-5-9(6-11(7-10)15-2)8-12(13)3-4-12/h5-7,13H,3-4,8H2,1-2H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol?
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117297692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).