4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol

C14H20O2 — CID 106590643

IUPAC4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
SMILESCOCC(O)(CCC1CC1)c1ccccc1
InChIInChI=1S/C14H20O2/c1-16-11-14(15,10-9-12-7-8-12)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyWTUYOQFUHNVECQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.71
Rot. Bonds6

About 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol

4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol (PubChem CID 106590643) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
PubChem CID106590643
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
SMILESCOCC(O)(CCC1CC1)c1ccccc1
InChIInChI=1S/C14H20O2/c1-16-11-14(15,10-9-12-7-8-12)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyWTUYOQFUHNVECQ-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Cuminol
CID 325
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
p-Cymen-8-ol
CID 14529
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
2-Phenylbutan-2-ol
CID 15283
1,2-Propanediol, 1,1-diphenyl-
CID 2748265
(1R)-(-)-1-Phenylethane-1,2-diol
CID 2724621
fenipentol, (S)-
CID 6992754
2-Phenyl-pentan-2-ol
CID 138214

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol?
The IUPAC name of 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol (CID 106590643) is 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol.
What is the SMILES notation for 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol?
The canonical SMILES for 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol is COCC(O)(CCC1CC1)c1ccccc1.
What is the InChIKey of 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol?
The InChIKey is WTUYOQFUHNVECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-16-11-14(15,10-9-12-7-8-12)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3.
What are the key properties of 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol?
4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol is sourced from PubChem (CID 106590643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).