1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol

C16H24O4 — CID 103557562

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOc1cc(C)c(C(O)CC2(OC)CCC2)cc1OC
InChIInChI=1S/C16H24O4/c1-11-8-14(18-2)15(19-3)9-12(11)13(17)10-16(20-4)6-5-7-16/h8-9,13,17H,5-7,10H2,1-4H3
InChIKeyREFZDRLKPZSBMF-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.00
Rot. Bonds6

About 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol

1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol (PubChem CID 103557562) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
PubChem CID103557562
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOc1cc(C)c(C(O)CC2(OC)CCC2)cc1OC
InChIInChI=1S/C16H24O4/c1-11-8-14(18-2)15(19-3)9-12(11)13(17)10-16(20-4)6-5-7-16/h8-9,13,17H,5-7,10H2,1-4H3
InChIKeyREFZDRLKPZSBMF-UHFFFAOYSA-N
XLogP3.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557615
1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557600
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556182
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 103560056
1-(4,5-dimethoxy-2-methylphenyl)octane-1,8-diol
CID 166530640
1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557499
1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557502
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,3,5-trimethylbenzene
CID 103557742
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene
CID 103557644

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol (CID 103557562) is 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol is COc1cc(C)c(C(O)CC2(OC)CCC2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol?
The InChIKey is REFZDRLKPZSBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-11-8-14(18-2)15(19-3)9-12(11)13(17)10-16(20-4)6-5-7-16/h8-9,13,17H,5-7,10H2,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol?
1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol has a molecular weight of 280.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 103557562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).