1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol

C14H19ClO2 — CID 117390180

IUPAC1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol
SMILESCOc1c(Cl)cc(C(C)(C)C)cc1C1(O)CC1
InChIInChI=1S/C14H19ClO2/c1-13(2,3)9-7-10(14(16)5-6-14)12(17-4)11(15)8-9/h7-8,16H,5-6H2,1-4H3
InChIKeyHGBKYHPLNCJJFE-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.63
Rot. Bonds2

About 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol

1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol (PubChem CID 117390180) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol
PubChem CID117390180
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol
SMILESCOc1c(Cl)cc(C(C)(C)C)cc1C1(O)CC1
InChIInChI=1S/C14H19ClO2/c1-13(2,3)9-7-10(14(16)5-6-14)12(17-4)11(15)8-9/h7-8,16H,5-6H2,1-4H3
InChIKeyHGBKYHPLNCJJFE-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117354237
1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]cyclopropan-1-ol
CID 117367345
1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]cyclopropan-1-ol
CID 117398910
6-chloro-2-fluoro-4-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84795724
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245
3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
CID 117444880
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol
CID 117409738
4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol
CID 84780188
(5-tert-butyl-3-chloro-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882723
2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
CID 83899229
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
2-chloro-3-(1-hydroxycyclopropyl)-4,5-dimethoxyphenol
CID 117363638

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol (CID 117390180) is 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol is COc1c(Cl)cc(C(C)(C)C)cc1C1(O)CC1.
What is the InChIKey of 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol?
The InChIKey is HGBKYHPLNCJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-13(2,3)9-7-10(14(16)5-6-14)12(17-4)11(15)8-9/h7-8,16H,5-6H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol?
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117390180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).