3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol

C14H19ClO2 — CID 83151151

IUPAC3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCOc1ccc(Cl)cc1CC(C)(CO)C1CC1
InChIInChI=1S/C14H19ClO2/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyONUFQCCUQUYPSW-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.30
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol

3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol (PubChem CID 83151151) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
PubChem CID83151151
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCOc1ccc(Cl)cc1CC(C)(CO)C1CC1
InChIInChI=1S/C14H19ClO2/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyONUFQCCUQUYPSW-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
N-tert-butyl-3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83150527
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148269
4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
CID 83151167
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151545
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 65146328
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene
CID 64767519
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
CID 66059544

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol (CID 83151151) is 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol is COc1ccc(Cl)cc1CC(C)(CO)C1CC1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The InChIKey is ONUFQCCUQUYPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-14(9-16,11-3-4-11)8-10-7-12(15)5-6-13(10)17-2/h5-7,11,16H,3-4,8-9H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol?
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol is sourced from PubChem (CID 83151151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).