[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol

C14H17ClO3 — CID 116874743

IUPAC[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
SMILESCOc1ccc(C2(C3(CO)CC3)COC2)c(Cl)c1
InChIInChI=1S/C14H17ClO3/c1-17-10-2-3-11(12(15)6-10)14(8-18-9-14)13(7-16)4-5-13/h2-3,6,16H,4-5,7-9H2,1H3
InChIKeyQXFGMSYAEAYKRN-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.39
Rot. Bonds4

About [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol

[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol (PubChem CID 116874743) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
PubChem CID116874743
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
SMILESCOc1ccc(C2(C3(CO)CC3)COC2)c(Cl)c1
InChIInChI=1S/C14H17ClO3/c1-17-10-2-3-11(12(15)6-10)14(8-18-9-14)13(7-16)4-5-13/h2-3,6,16H,4-5,7-9H2,1H3
InChIKeyQXFGMSYAEAYKRN-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116871779
[1-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874726
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]ethanamine
CID 116869379
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
N-[[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]methyl]cyclopropanamine
CID 116870658
1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844322
[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol
CID 117035253
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617
[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol
CID 66060087
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
[3-[[2-(3-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249101

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol?
The IUPAC name of [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol (CID 116874743) is [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol is COc1ccc(C2(C3(CO)CC3)COC2)c(Cl)c1.
What is the InChIKey of [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol?
The InChIKey is QXFGMSYAEAYKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-17-10-2-3-11(12(15)6-10)14(8-18-9-14)13(7-16)4-5-13/h2-3,6,16H,4-5,7-9H2,1H3.
What are the key properties of [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol?
[1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol has a molecular weight of 268.74 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 [1-[3-(2-chloro-4-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 116874743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).