1-(2-propan-2-yloxyphenyl)pentane-1,2-diol

C14H22O3 — CID 103454765

IUPAC1-(2-propan-2-yloxyphenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1ccccc1OC(C)C
InChIInChI=1S/C14H22O3/c1-4-7-12(15)14(16)11-8-5-6-9-13(11)17-10(2)3/h5-6,8-10,12,14-16H,4,7H2,1-3H3
InChIKeyWPGOCBXJFKWPHM-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.67
Rot. Bonds6

About 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol

1-(2-propan-2-yloxyphenyl)pentane-1,2-diol (PubChem CID 103454765) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)pentane-1,2-diol
PubChem CID103454765
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2-propan-2-yloxyphenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1ccccc1OC(C)C
InChIInChI=1S/C14H22O3/c1-4-7-12(15)14(16)11-8-5-6-9-13(11)17-10(2)3/h5-6,8-10,12,14-16H,4,7H2,1-3H3
InChIKeyWPGOCBXJFKWPHM-UHFFFAOYSA-N
XLogP2.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
methyl 3,4-dihydroxy-4-(2-propan-2-yloxyphenyl)butanoate
CID 171895922
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
4-methoxy-1-(2-propan-2-yloxyphenyl)pentan-1-ol
CID 105116940
2-[2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83932516
1-(2-ethoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890149
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
2-(propan-2-ylamino)-1-(2-propan-2-yloxyphenyl)ethanol
CID 79023945
1-(2,3-difluorophenyl)pentane-1,2-diol
CID 103454950

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol (CID 103454765) is 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol is CCCC(O)C(O)c1ccccc1OC(C)C.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol?
The InChIKey is WPGOCBXJFKWPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-7-12(15)14(16)11-8-5-6-9-13(11)17-10(2)3/h5-6,8-10,12,14-16H,4,7H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol?
1-(2-propan-2-yloxyphenyl)pentane-1,2-diol has a molecular weight of 238.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)pentane-1,2-diol is sourced from PubChem (CID 103454765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).