1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol

C13H18O4 — CID 106823852

IUPAC1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
SMILESCOc1ccc(C2(O)CC(OC)C2)cc1OC
InChIInChI=1S/C13H18O4/c1-15-10-7-13(14,8-10)9-4-5-11(16-2)12(6-9)17-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyGGZFGFZZRAKMOF-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.70
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol

1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol (PubChem CID 106823852) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
PubChem CID106823852
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
SMILESCOc1ccc(C2(O)CC(OC)C2)cc1OC
InChIInChI=1S/C13H18O4/c1-15-10-7-13(14,8-10)9-4-5-11(16-2)12(6-9)17-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyGGZFGFZZRAKMOF-UHFFFAOYSA-N
XLogP1.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
3-methoxy-1-naphthalen-2-ylcyclobutan-1-ol
CID 106823614
7-(3,4-dimethoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171955199
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117384320
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129
1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol
CID 64513841
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756534
3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
CID 80561285
1-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]cyclopropan-1-ol
CID 117457854
1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
CID 117415265
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
2-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62788137

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol (CID 106823852) is 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol is COc1ccc(C2(O)CC(OC)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol?
The InChIKey is GGZFGFZZRAKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-10-7-13(14,8-10)9-4-5-11(16-2)12(6-9)17-3/h4-6,10,14H,7-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol?
1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol has a molecular weight of 238.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol is sourced from PubChem (CID 106823852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).