1-phenyl-2-propylpentan-1-ol

C14H22O — CID 82987900

IUPAC1-phenyl-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1ccccc1
InChIInChI=1S/C14H22O/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h5-7,10-12,14-15H,3-4,8-9H2,1-2H3
InChIKeyZPYHTZKTJDJAMK-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.94
Rot. Bonds6

About 1-phenyl-2-propylpentan-1-ol

1-phenyl-2-propylpentan-1-ol (PubChem CID 82987900) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-phenyl-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-phenyl-2-propylpentan-1-ol
PubChem CID82987900
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-phenyl-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1ccccc1
InChIInChI=1S/C14H22O/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h5-7,10-12,14-15H,3-4,8-9H2,1-2H3
InChIKeyZPYHTZKTJDJAMK-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392
(1S,2R)-2-[[(4-methoxyphenyl)methylamino]methyl]-1-phenylpentan-1-ol
CID 11301457
1,2-diphenylethane-1,2-diol
CID 159073808
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
(1R,2S,4S)-1-hydroxy-4-[(R)-hydroxy(phenyl)methyl]-2-methyl-1-phenylheptan-3-one
CID 177426345
(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol
CID 10930655
(1S,2R,3S,4S)-2-butyl-1-phenylheptane-1,3,4-triol
CID 101411892
(1S)-1-phenylpentan-1-ol
CID 6992754
2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 79412165
diethyl-[(2S)-2-[(R)-hydroxy(phenyl)methyl]butyl]azanium
CID 6954543

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propylpentan-1-ol?
The IUPAC name of 1-phenyl-2-propylpentan-1-ol (CID 82987900) is 1-phenyl-2-propylpentan-1-ol.
What is the SMILES notation for 1-phenyl-2-propylpentan-1-ol?
The canonical SMILES for 1-phenyl-2-propylpentan-1-ol is CCCC(CCC)C(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-propylpentan-1-ol?
The InChIKey is ZPYHTZKTJDJAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13/h5-7,10-12,14-15H,3-4,8-9H2,1-2H3.
What are the key properties of 1-phenyl-2-propylpentan-1-ol?
1-phenyl-2-propylpentan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propylpentan-1-ol is sourced from PubChem (CID 82987900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).