3-(3-propylphenyl)pentan-3-ol

C14H22O — CID 116542305

IUPAC3-(3-propylphenyl)pentan-3-ol
SMILESCCCc1cccc(C(O)(CC)CC)c1
InChIInChI=1S/C14H22O/c1-4-8-12-9-7-10-13(11-12)14(15,5-2)6-3/h7,9-11,15H,4-6,8H2,1-3H3
InChIKeyZLYCMUVRKXZHLF-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.65
Rot. Bonds5

About 3-(3-propylphenyl)pentan-3-ol

3-(3-propylphenyl)pentan-3-ol (PubChem CID 116542305) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(3-propylphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(3-propylphenyl)pentan-3-ol
PubChem CID116542305
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-(3-propylphenyl)pentan-3-ol
SMILESCCCc1cccc(C(O)(CC)CC)c1
InChIInChI=1S/C14H22O/c1-4-8-12-9-7-10-13(11-12)14(15,5-2)6-3/h7,9-11,15H,4-6,8H2,1-3H3
InChIKeyZLYCMUVRKXZHLF-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
1-(2-chlorophenyl)-1-(3-propylphenyl)ethanol
CID 116542288
1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
CID 116545598
3-(3-bromophenyl)pentan-3-ol
CID 57443482
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774

Frequently Asked Questions

What is the IUPAC name of 3-(3-propylphenyl)pentan-3-ol?
The IUPAC name of 3-(3-propylphenyl)pentan-3-ol (CID 116542305) is 3-(3-propylphenyl)pentan-3-ol.
What is the SMILES notation for 3-(3-propylphenyl)pentan-3-ol?
The canonical SMILES for 3-(3-propylphenyl)pentan-3-ol is CCCc1cccc(C(O)(CC)CC)c1.
What is the InChIKey of 3-(3-propylphenyl)pentan-3-ol?
The InChIKey is ZLYCMUVRKXZHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-8-12-9-7-10-13(11-12)14(15,5-2)6-3/h7,9-11,15H,4-6,8H2,1-3H3.
What are the key properties of 3-(3-propylphenyl)pentan-3-ol?
3-(3-propylphenyl)pentan-3-ol has a molecular weight of 206.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propylphenyl)pentan-3-ol is sourced from PubChem (CID 116542305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).