1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol

C12H15ClO2 — CID 117326102

IUPAC1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
SMILESCCc1c(Cl)cc(C2(O)CC2)cc1OC
InChIInChI=1S/C12H15ClO2/c1-3-9-10(13)6-8(7-11(9)15-2)12(14)4-5-12/h6-7,14H,3-5H2,1-2H3
InChIKeyMGSWVFFDHGLLLA-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.89
Rot. Bonds3

About 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol

1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol (PubChem CID 117326102) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
PubChem CID117326102
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
SMILESCCc1c(Cl)cc(C2(O)CC2)cc1OC
InChIInChI=1S/C12H15ClO2/c1-3-9-10(13)6-8(7-11(9)15-2)12(14)4-5-12/h6-7,14H,3-5H2,1-2H3
InChIKeyMGSWVFFDHGLLLA-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117303343
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117349197
2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol
CID 117305955
8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819278
2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
CID 117327994
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117356705
1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117454527

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol (CID 117326102) is 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol is CCc1c(Cl)cc(C2(O)CC2)cc1OC.
What is the InChIKey of 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol?
The InChIKey is MGSWVFFDHGLLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-3-9-10(13)6-8(7-11(9)15-2)12(14)4-5-12/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol?
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol has a molecular weight of 226.70 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117326102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).