(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol

C13H18O3 — CID 116810169

IUPAC(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol
SMILESCOc1cccc(OC)c1C(O)C1CC1C
InChIInChI=1S/C13H18O3/c1-8-7-9(8)13(14)12-10(15-2)5-4-6-11(12)16-3/h4-6,8-9,13-14H,7H2,1-3H3
InChIKeyNDAOCYFMBXSQFL-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.39
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol

(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol (PubChem CID 116810169) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol
PubChem CID116810169
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol
SMILESCOc1cccc(OC)c1C(O)C1CC1C
InChIInChI=1S/C13H18O3/c1-8-7-9(8)13(14)12-10(15-2)5-4-6-11(12)16-3/h4-6,8-9,13-14H,7H2,1-3H3
InChIKeyNDAOCYFMBXSQFL-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(2,6-dimethoxyphenyl)methanol
CID 115838554
[(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234975
(2-chloro-6-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanol
CID 104817235
(4-methoxy-3-pyridinyl)-(2-methylcyclopropyl)methanol
CID 130565651
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
CID 65420387
(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 65420822
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552585
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol
CID 115819406

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol?
The IUPAC name of (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol (CID 116810169) is (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol?
The canonical SMILES for (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol is COc1cccc(OC)c1C(O)C1CC1C.
What is the InChIKey of (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol?
The InChIKey is NDAOCYFMBXSQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8-7-9(8)13(14)12-10(15-2)5-4-6-11(12)16-3/h4-6,8-9,13-14H,7H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol?
(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol has a molecular weight of 222.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol is sourced from PubChem (CID 116810169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).