4-(4-methoxyphenyl)pentane-1,2-diol

C12H18O3 — CID 83932154

IUPAC4-(4-methoxyphenyl)pentane-1,2-diol
SMILESCOc1ccc(C(C)CC(O)CO)cc1
InChIInChI=1S/C12H18O3/c1-9(7-11(14)8-13)10-3-5-12(15-2)6-4-10/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyBZNJGUODGSTXOY-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.54
Rot. Bonds5

About 4-(4-methoxyphenyl)pentane-1,2-diol

4-(4-methoxyphenyl)pentane-1,2-diol (PubChem CID 83932154) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pentane-1,2-diol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pentane-1,2-diol
PubChem CID83932154
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-(4-methoxyphenyl)pentane-1,2-diol
SMILESCOc1ccc(C(C)CC(O)CO)cc1
InChIInChI=1S/C12H18O3/c1-9(7-11(14)8-13)10-3-5-12(15-2)6-4-10/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyBZNJGUODGSTXOY-UHFFFAOYSA-N
XLogP1.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
4-(3,4-dimethylphenyl)pentane-1,2-diol
CID 83927966
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
(1S,3R)-3-amino-1-(4-methoxyphenyl)butane-1,4-diol
CID 121237727
4-(3,4-dichlorophenyl)pentane-1,2-diol
CID 83931310
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
CID 175713586
CID 175713586
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602
(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 53474824

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)pentane-1,2-diol?
The IUPAC name of 4-(4-methoxyphenyl)pentane-1,2-diol (CID 83932154) is 4-(4-methoxyphenyl)pentane-1,2-diol.
What is the SMILES notation for 4-(4-methoxyphenyl)pentane-1,2-diol?
The canonical SMILES for 4-(4-methoxyphenyl)pentane-1,2-diol is COc1ccc(C(C)CC(O)CO)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pentane-1,2-diol?
The InChIKey is BZNJGUODGSTXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(7-11(14)8-13)10-3-5-12(15-2)6-4-10/h3-6,9,11,13-14H,7-8H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)pentane-1,2-diol?
4-(4-methoxyphenyl)pentane-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)pentane-1,2-diol is sourced from PubChem (CID 83932154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).