1-(3-chloro-4-cyclopropylphenyl)propan-2-ol

C12H15ClO — CID 117300896

IUPAC1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C12H15ClO/c1-8(14)6-9-2-5-11(10-3-4-10)12(13)7-9/h2,5,7-8,10,14H,3-4,6H2,1H3
InChIKeyXENCNTVQJLTXFR-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.14
Rot. Bonds3

About 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol

1-(3-chloro-4-cyclopropylphenyl)propan-2-ol (PubChem CID 117300896) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
PubChem CID117300896
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C12H15ClO/c1-8(14)6-9-2-5-11(10-3-4-10)12(13)7-9/h2,5,7-8,10,14H,3-4,6H2,1H3
InChIKeyXENCNTVQJLTXFR-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol
CID 117420897
1-[3-chloro-4-(thiolan-3-yl)phenyl]propan-2-ol
CID 117395491
2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
CID 117302343
1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 79983379
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-2-ol
CID 115005752
1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol
CID 117469790
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511
1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine
CID 105497358
O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
CID 117387845
1-[3-chloro-4-(oxolan-3-yl)phenyl]ethanol
CID 117326037

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol (CID 117300896) is 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol is CC(O)Cc1ccc(C2CC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol?
The InChIKey is XENCNTVQJLTXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-8(14)6-9-2-5-11(10-3-4-10)12(13)7-9/h2,5,7-8,10,14H,3-4,6H2,1H3.
What are the key properties of 1-(3-chloro-4-cyclopropylphenyl)propan-2-ol?
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol has a molecular weight of 210.70 g/mol, XLogP of 3.14, 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-cyclopropylphenyl)propan-2-ol is sourced from PubChem (CID 117300896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).