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

C16H26O3 — CID 61483224

IUPAC4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
SMILESCCCCOCCOc1ccc(CCC(C)O)cc1
InChIInChI=1S/C16H26O3/c1-3-4-11-18-12-13-19-16-9-7-15(8-10-16)6-5-14(2)17/h7-10,14,17H,3-6,11-13H2,1-2H3
InChIKeyYJKHSVXPLDAJGA-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.20
Rot. Bonds10

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

4-[4-(2-butoxyethoxy)phenyl]butan-2-ol (PubChem CID 61483224) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
PubChem CID61483224
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
SMILESCCCCOCCOc1ccc(CCC(C)O)cc1
InChIInChI=1S/C16H26O3/c1-3-4-11-18-12-13-19-16-9-7-15(8-10-16)6-5-14(2)17/h7-10,14,17H,3-6,11-13H2,1-2H3
InChIKeyYJKHSVXPLDAJGA-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
6-[hexyl-[2-[4-(2-propoxyethoxy)phenyl]ethyl]amino]hexan-2-ol
CID 164595609
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
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
5-(4-heptoxyphenyl)-3-methylpentan-2-ol
CID 143147990
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
CID 82184926

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol?
The IUPAC name of 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol (CID 61483224) is 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol is CCCCOCCOc1ccc(CCC(C)O)cc1.
What is the InChIKey of 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol?
The InChIKey is YJKHSVXPLDAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-4-11-18-12-13-19-16-9-7-15(8-10-16)6-5-14(2)17/h7-10,14,17H,3-6,11-13H2,1-2H3.
What are the key properties of 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol?
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-butoxyethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 61483224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).