[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol

C13H17ClO — CID 105424457

IUPAC[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol
SMILESCC(C)c1ccc(C2(CO)CC2)cc1Cl
InChIInChI=1S/C13H17ClO/c1-9(2)11-4-3-10(7-12(11)14)13(8-15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyNJIDFKFQRAHOLK-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.49
Rot. Bonds3

About [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol

[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol (PubChem CID 105424457) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol
PubChem CID105424457
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol
SMILESCC(C)c1ccc(C2(CO)CC2)cc1Cl
InChIInChI=1S/C13H17ClO/c1-9(2)11-4-3-10(7-12(11)14)13(8-15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyNJIDFKFQRAHOLK-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol
CID 105424453
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294
[4-(4-methoxy-3-propan-2-ylphenyl)piperidin-4-yl]methanol
CID 82486093
2-chloro-4-(1-isocyanatocyclopentyl)-1-propan-2-ylbenzene
CID 117414213
[1-(3-bromo-4-methylsulfanylphenyl)cyclopropyl]methanol
CID 105424442
[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol
CID 134370434
[1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanol
CID 116963428
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
[1-(7-fluoronaphthalen-2-yl)cyclopropyl]methanol
CID 105469764
4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol?
The IUPAC name of [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol (CID 105424457) is [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol is CC(C)c1ccc(C2(CO)CC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol?
The InChIKey is NJIDFKFQRAHOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-9(2)11-4-3-10(7-12(11)14)13(8-15)5-6-13/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol?
[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol has a molecular weight of 224.73 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 105424457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).