1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol

C13H17ClO2 — CID 117354215

IUPAC1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(C)c(Cl)cc(CC2(O)CC2)c1C
InChIInChI=1S/C13H17ClO2/c1-8-10(7-13(15)4-5-13)6-11(14)9(2)12(8)16-3/h6,15H,4-5,7H2,1-3H3
InChIKeyVHVGHJHWFRBBFY-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.03
Rot. Bonds3

About 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol

1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117354215) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
PubChem CID117354215
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(C)c(Cl)cc(CC2(O)CC2)c1C
InChIInChI=1S/C13H17ClO2/c1-8-10(7-13(15)4-5-13)6-11(14)9(2)12(8)16-3/h6,15H,4-5,7H2,1-3H3
InChIKeyVHVGHJHWFRBBFY-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxy-3,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354228
6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
CID 117318324
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
CID 117358714
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117425603
1-(5-chloro-3-methoxy-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 117356697
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol
CID 117326090
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]cyclopropan-1-ol
CID 117420830

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol (CID 117354215) is 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol is COc1c(C)c(Cl)cc(CC2(O)CC2)c1C.
What is the InChIKey of 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is VHVGHJHWFRBBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-8-10(7-13(15)4-5-13)6-11(14)9(2)12(8)16-3/h6,15H,4-5,7H2,1-3H3.
What are the key properties of 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol?
1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117354215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).