(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol

C15H22O3 — CID 106680299

IUPAC(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)C1(OC)CCC1
InChIInChI=1S/C15H22O3/c1-10-8-11(2)13(12(9-10)17-3)14(16)15(18-4)6-5-7-15/h8-9,14,16H,5-7H2,1-4H3
InChIKeyITOQTYBXGZYMLB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.91
Rot. Bonds4

About (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol

(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106680299) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106680299
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)C1(OC)CCC1
InChIInChI=1S/C15H22O3/c1-10-8-11(2)13(12(9-10)17-3)14(16)15(18-4)6-5-7-15/h8-9,14,16H,5-7H2,1-4H3
InChIKeyITOQTYBXGZYMLB-UHFFFAOYSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 106680334
(2-fluoro-4,6-dimethylphenyl)-(1-methoxycyclohexyl)methanol
CID 106881183
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680926
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755770
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 106680980
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
(2-methoxy-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 106682549
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,3,5-trimethylbenzene
CID 103557742

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106680299) is (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol is COc1cc(C)cc(C)c1C(O)C1(OC)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is ITOQTYBXGZYMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-8-11(2)13(12(9-10)17-3)14(16)15(18-4)6-5-7-15/h8-9,14,16H,5-7H2,1-4H3.
What are the key properties of (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol has a molecular weight of 250.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106680299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).