4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol

C12H18O3 — CID 43504158

IUPAC4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCCO)cc1
InChIInChI=1S/C12H18O3/c1-10(14)2-3-11-4-6-12(7-5-11)15-9-8-13/h4-7,10,13-14H,2-3,8-9H2,1H3
InChIKeyKOMBKGBQEAGYQB-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.37
Rot. Bonds6

About 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol

4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol (PubChem CID 43504158) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
PubChem CID43504158
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCCO)cc1
InChIInChI=1S/C12H18O3/c1-10(14)2-3-11-4-6-12(7-5-11)15-9-8-13/h4-7,10,13-14H,2-3,8-9H2,1H3
InChIKeyKOMBKGBQEAGYQB-UHFFFAOYSA-N
XLogP1.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
CID 112689131
4-(4-pent-4-ynoxyphenyl)butan-2-ol
CID 113343854
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
4-[4-(2-ethylbutoxy)phenyl]butan-2-ol
CID 82928939
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
2-[4-(2-aminooxyethyl)phenoxy]ethanol
CID 117286926
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213368
CID 162335780
CID 162335780

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol?
The IUPAC name of 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol (CID 43504158) is 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol is CC(O)CCc1ccc(OCCO)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol?
The InChIKey is KOMBKGBQEAGYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(14)2-3-11-4-6-12(7-5-11)15-9-8-13/h4-7,10,13-14H,2-3,8-9H2,1H3.
What are the key properties of 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol?
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 43504158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).