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

C15H21ClO2 — CID 117425603

IUPAC1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(CC2(O)CC2)cc(Cl)cc1C(C)(C)C
InChIInChI=1S/C15H21ClO2/c1-14(2,3)12-8-11(16)7-10(13(12)18-4)9-15(17)5-6-15/h7-8,17H,5-6,9H2,1-4H3
InChIKeyGUOOUKDIOPPDDV-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.71
Rot. Bonds3

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

1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117425603) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117425603
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(CC2(O)CC2)cc(Cl)cc1C(C)(C)C
InChIInChI=1S/C15H21ClO2/c1-14(2,3)12-8-11(16)7-10(13(12)18-4)9-15(17)5-6-15/h7-8,17H,5-6,9H2,1-4H3
InChIKeyGUOOUKDIOPPDDV-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354215
1-tert-butyl-5-chloro-3-(isocyanatomethyl)-2-methoxybenzene
CID 117387399
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
2-(3-tert-butyl-5-chloro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117452830
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949
1-(3-tert-butyl-5-chloro-2-methoxyphenyl)ethanone
CID 117354240
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117459103
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane
CID 18347391

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol (CID 117425603) is 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol is COc1c(CC2(O)CC2)cc(Cl)cc1C(C)(C)C.
What is the InChIKey of 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is GUOOUKDIOPPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-14(2,3)12-8-11(16)7-10(13(12)18-4)9-15(17)5-6-15/h7-8,17H,5-6,9H2,1-4H3.
What are the key properties of 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol?
1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 268.78 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117425603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).