1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol

C13H17ClO3 — CID 106823676

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CC(OC)C1
InChIInChI=1S/C13H17ClO3/c1-16-11-7-13(15,8-11)6-9-5-10(14)3-4-12(9)17-2/h3-5,11,15H,6-8H2,1-2H3
InChIKeyQXFYNCWBDLODQN-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.43
Rot. Bonds4

About 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol

1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol (PubChem CID 106823676) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
PubChem CID106823676
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CC(OC)C1
InChIInChI=1S/C13H17ClO3/c1-16-11-7-13(15,8-11)6-9-5-10(14)3-4-12(9)17-2/h3-5,11,15H,6-8H2,1-2H3
InChIKeyQXFYNCWBDLODQN-UHFFFAOYSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol
CID 65148883
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823811
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736144
2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65147543
2-(bromomethyl)-2-[(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 66047756
[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 83079886

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol (CID 106823676) is 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol is COc1ccc(Cl)cc1CC1(O)CC(OC)C1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol?
The InChIKey is QXFYNCWBDLODQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-16-11-7-13(15,8-11)6-9-5-10(14)3-4-12(9)17-2/h3-5,11,15H,6-8H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol?
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol has a molecular weight of 256.73 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol is sourced from PubChem (CID 106823676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).