[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol

C12H15ClO2 — CID 116842455

IUPAC[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
SMILESCOc1ccc(Cl)cc1C1(CO)CC1C
InChIInChI=1S/C12H15ClO2/c1-8-6-12(8,7-14)10-5-9(13)3-4-11(10)15-2/h3-5,8,14H,6-7H2,1-2H3
InChIKeyAAYYVYRJZYIWRD-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.62
Rot. Bonds3

About [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol

[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol (PubChem CID 116842455) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
PubChem CID116842455
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol
SMILESCOc1ccc(Cl)cc1C1(CO)CC1C
InChIInChI=1S/C12H15ClO2/c1-8-6-12(8,7-14)10-5-9(13)3-4-11(10)15-2/h3-5,8,14H,6-7H2,1-2H3
InChIKeyAAYYVYRJZYIWRD-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methoxy-3-propan-2-ylphenyl)-2-methylcyclopropyl]methanol
CID 116842467
N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679265
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
3-tert-butyl-1-(5-chloro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 65017164
1-(4-chloro-2-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 106819817
1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
CID 65014865
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
3-(5-chloro-2-methoxyphenyl)-2-methylthian-3-ol
CID 79952066
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol?
The IUPAC name of [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol (CID 116842455) is [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol.
What is the SMILES notation for [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol?
The canonical SMILES for [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol is COc1ccc(Cl)cc1C1(CO)CC1C.
What is the InChIKey of [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol?
The InChIKey is AAYYVYRJZYIWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8-6-12(8,7-14)10-5-9(13)3-4-11(10)15-2/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol?
[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol has a molecular weight of 226.70 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyphenyl)-2-methylcyclopropyl]methanol is sourced from PubChem (CID 116842455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).