1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol

C13H17ClO — CID 117322636

IUPAC1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
SMILESCC(C)c1ccc(Cl)cc1CC1(O)CC1
InChIInChI=1S/C13H17ClO/c1-9(2)12-4-3-11(14)7-10(12)8-13(15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeySBVBLQULMBHEKV-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.53
Rot. Bonds3

About 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol

1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117322636) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
PubChem CID117322636
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
SMILESCC(C)c1ccc(Cl)cc1CC1(O)CC1
InChIInChI=1S/C13H17ClO/c1-9(2)12-4-3-11(14)7-10(12)8-13(15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeySBVBLQULMBHEKV-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol
CID 117354218
1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
CID 117408877
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117379471
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
CID 117374951
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol
CID 162351024
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117328612

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol (CID 117322636) is 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol is CC(C)c1ccc(Cl)cc1CC1(O)CC1.
What is the InChIKey of 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is SBVBLQULMBHEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-9(2)12-4-3-11(14)7-10(12)8-13(15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol?
1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117322636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).