[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol

C14H20O4 — CID 116928893

IUPAC[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
SMILESCOc1cc(OC)c(CC2(CO)CC2)c(OC)c1
InChIInChI=1S/C14H20O4/c1-16-10-6-12(17-2)11(13(7-10)18-3)8-14(9-15)4-5-14/h6-7,15H,4-5,8-9H2,1-3H3
InChIKeyQNUNAKIJMUDKSR-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.03
Rot. Bonds6

About [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol

[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol (PubChem CID 116928893) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
PubChem CID116928893
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
SMILESCOc1cc(OC)c(CC2(CO)CC2)c(OC)c1
InChIInChI=1S/C14H20O4/c1-16-10-6-12(17-2)11(13(7-10)18-3)8-14(9-15)4-5-14/h6-7,15H,4-5,8-9H2,1-3H3
InChIKeyQNUNAKIJMUDKSR-UHFFFAOYSA-N
XLogP2.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]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-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
CID 103762036
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
[1-[(3,4,5-trimethoxyphenyl)methyl]cyclobutyl]methanol
CID 116929645
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
(2,4,6-trimethoxyphenyl)methylsulfanylmethanol
CID 129121161
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
[3-[(2-methoxy-4,6-dimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116930388
1-[(2-bromo-4,6-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046096
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol (CID 116928893) is [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol is COc1cc(OC)c(CC2(CO)CC2)c(OC)c1.
What is the InChIKey of [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol?
The InChIKey is QNUNAKIJMUDKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-10-6-12(17-2)11(13(7-10)18-3)8-14(9-15)4-5-14/h6-7,15H,4-5,8-9H2,1-3H3.
What are the key properties of [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol?
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116928893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).