1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol

C14H18Cl2O3 — CID 103557615

IUPAC1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOc1cc(Cl)c(C(O)CC2(OC)CCC2)cc1Cl
InChIInChI=1S/C14H18Cl2O3/c1-18-13-7-10(15)9(6-11(13)16)12(17)8-14(19-2)4-3-5-14/h6-7,12,17H,3-5,8H2,1-2H3
InChIKeyZWGIKVVARRUNEZ-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.99
Rot. Bonds5

About 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol

1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol (PubChem CID 103557615) has the molecular formula C14H18Cl2O3 and a molecular weight of 305.20 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
PubChem CID103557615
Molecular FormulaC14H18Cl2O3
Molecular Weight305.20 g/mol
Exact Mass304.06
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOc1cc(Cl)c(C(O)CC2(OC)CCC2)cc1Cl
InChIInChI=1S/C14H18Cl2O3/c1-18-13-7-10(15)9(6-11(13)16)12(17)8-14(19-2)4-3-5-14/h6-7,12,17H,3-5,8H2,1-2H3
InChIKeyZWGIKVVARRUNEZ-UHFFFAOYSA-N
XLogP3.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557562
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557502
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556124
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,4-dichlorobenzene
CID 103557765
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559564
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3-chloro-2,4-dimethoxybenzene
CID 103557885
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1,2-dimethoxybenzene
CID 103557644
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 103560056

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol (CID 103557615) is 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol is COc1cc(Cl)c(C(O)CC2(OC)CCC2)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol?
The InChIKey is ZWGIKVVARRUNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O3/c1-18-13-7-10(15)9(6-11(13)16)12(17)8-14(19-2)4-3-5-14/h6-7,12,17H,3-5,8H2,1-2H3.
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol?
1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol has a molecular weight of 305.20 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 103557615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).