1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol

C15H22O — CID 64515372

IUPAC1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol
SMILESCc1ccc(CCCC(O)C2CC2)cc1C
InChIInChI=1S/C15H22O/c1-11-6-7-13(10-12(11)2)4-3-5-15(16)14-8-9-14/h6-7,10,14-16H,3-5,8-9H2,1-2H3
InChIKeyWBNIAOYFTYHOBF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.40
Rot. Bonds5

About 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol

1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol (PubChem CID 64515372) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol
PubChem CID64515372
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol
SMILESCc1ccc(CCCC(O)C2CC2)cc1C
InChIInChI=1S/C15H22O/c1-11-6-7-13(10-12(11)2)4-3-5-15(16)14-8-9-14/h6-7,10,14-16H,3-5,8-9H2,1-2H3
InChIKeyWBNIAOYFTYHOBF-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol
CID 64515133
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410724
4-(3,4-dimethylphenyl)butane-1,2-diol
CID 83927957
1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol
CID 64990273
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
CID 65401121
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
1,2-dimethyl-4-octylbenzene
CID 14044616

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol?
The IUPAC name of 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol (CID 64515372) is 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol?
The canonical SMILES for 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol is Cc1ccc(CCCC(O)C2CC2)cc1C.
What is the InChIKey of 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol?
The InChIKey is WBNIAOYFTYHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-6-7-13(10-12(11)2)4-3-5-15(16)14-8-9-14/h6-7,10,14-16H,3-5,8-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol?
1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 64515372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).