[5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol

C12H16O4 — CID 70861045

IUPAC[5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(C2(OCO)CC2)cc1CO
InChIInChI=1S/C12H16O4/c1-15-11-3-2-10(6-9(11)7-13)12(4-5-12)16-8-14/h2-3,6,13-14H,4-5,7-8H2,1H3
InChIKeyMOQDZUDVADQLFD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.14
Rot. Bonds5

About [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol

[5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol (PubChem CID 70861045) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol
PubChem CID70861045
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol
SMILESCOc1ccc(C2(OCO)CC2)cc1CO
InChIInChI=1S/C12H16O4/c1-15-11-3-2-10(6-9(11)7-13)12(4-5-12)16-8-14/h2-3,6,13-14H,4-5,7-8H2,1H3
InChIKeyMOQDZUDVADQLFD-UHFFFAOYSA-N
XLogP1.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol 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-[4-(hydroxymethyl)-3-methoxyphenyl]cyclobutyl] acetate
CID 165370679
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297706
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
[4-(3-ethyl-4-methoxyphenyl)piperidin-4-yl]methanol
CID 82480668
(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938
[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82091322
1-[3-[(dimethylamino)methyl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412824
[4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol
CID 58271454
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol
CID 908982
[3-(hydroxymethyl)-4-methoxyphenyl]methylboronic acid
CID 174806441

Frequently Asked Questions

What is the IUPAC name of [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol?
The IUPAC name of [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol (CID 70861045) is [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol?
The canonical SMILES for [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol is COc1ccc(C2(OCO)CC2)cc1CO.
What is the InChIKey of [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol?
The InChIKey is MOQDZUDVADQLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-15-11-3-2-10(6-9(11)7-13)12(4-5-12)16-8-14/h2-3,6,13-14H,4-5,7-8H2,1H3.
What are the key properties of [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol?
[5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol has a molecular weight of 224.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 70861045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).