1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol

C15H22O — CID 64990273

IUPAC1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(CCC(O)C2CC2)cc1C
InChIInChI=1S/C15H22O/c1-10-8-12(3)14(9-11(10)2)6-7-15(16)13-4-5-13/h8-9,13,15-16H,4-7H2,1-3H3
InChIKeyMMNUJFZVUUYDQB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.32
Rot. Bonds4

About 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol

1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol (PubChem CID 64990273) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol
PubChem CID64990273
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(CCC(O)C2CC2)cc1C
InChIInChI=1S/C15H22O/c1-10-8-12(3)14(9-11(10)2)6-7-15(16)13-4-5-13/h8-9,13,15-16H,4-7H2,1-3H3
InChIKeyMMNUJFZVUUYDQB-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Bisacumol
CID 5315469
2,4,6-Trimethylbenzyl alcohol
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((1S,2S)-2-phenylcyclopropyl)methanol
CID 6427564
Benzenepropanol, alpha,beta-dimethyl-
CID 92543
beta-Methyl-4-(1-methylethyl)benzenepropanol
CID 107334
4-Methyl-6-phenylhexan-2-ol
CID 64721672
2-Hydroxyethylmesitylene
CID 81389
(2-Phenylcyclopropyl)methanol
CID 317540
beta-Methyl-4-(2-methylpropyl)benzeneethanol
CID 595160

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol?
The IUPAC name of 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol (CID 64990273) is 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol?
The canonical SMILES for 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol is Cc1cc(C)c(CCC(O)C2CC2)cc1C.
What is the InChIKey of 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol?
The InChIKey is MMNUJFZVUUYDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10-8-12(3)14(9-11(10)2)6-7-15(16)13-4-5-13/h8-9,13,15-16H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol?
1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 64990273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).