3-(4-butylphenoxy)butan-2-ol

C14H22O2 — CID 115492969

IUPAC3-(4-butylphenoxy)butan-2-ol
SMILESCCCCc1ccc(OC(C)C(C)O)cc1
InChIInChI=1S/C14H22O2/c1-4-5-6-13-7-9-14(10-8-13)16-12(3)11(2)15/h7-12,15H,4-6H2,1-3H3
InChIKeyCHKHJGXSJCTTOT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds6

About 3-(4-butylphenoxy)butan-2-ol

3-(4-butylphenoxy)butan-2-ol (PubChem CID 115492969) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(4-butylphenoxy)butan-2-ol.

Molecular Properties

Compound Name3-(4-butylphenoxy)butan-2-ol
PubChem CID115492969
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-(4-butylphenoxy)butan-2-ol
SMILESCCCCc1ccc(OC(C)C(C)O)cc1
InChIInChI=1S/C14H22O2/c1-4-5-6-13-7-9-14(10-8-13)16-12(3)11(2)15/h7-12,15H,4-6H2,1-3H3
InChIKeyCHKHJGXSJCTTOT-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-aminoethyl)phenoxy]butan-2-ol
CID 106940166
2-(4-octylphenoxy)propanoic acid
CID 158773320
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
1-(4-butylphenoxy)-3-methylbutan-2-one
CID 115492859
1-(4-butylphenoxy)-3-(4-methylphenoxy)butan-2-one
CID 20820595
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
1-(4-nonylphenoxy)propane-1,2,3-triol
CID 19848413
methyl 2-(4-butylphenoxy)-2-cyclopropylacetate
CID 113322628
2-(4-hexan-2-yloxyphenyl)ethanol
CID 123674677
O-(4-butylphenyl)hydroxylamine
CID 176620577
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenoxy)butan-2-ol?
The IUPAC name of 3-(4-butylphenoxy)butan-2-ol (CID 115492969) is 3-(4-butylphenoxy)butan-2-ol.
What is the SMILES notation for 3-(4-butylphenoxy)butan-2-ol?
The canonical SMILES for 3-(4-butylphenoxy)butan-2-ol is CCCCc1ccc(OC(C)C(C)O)cc1.
What is the InChIKey of 3-(4-butylphenoxy)butan-2-ol?
The InChIKey is CHKHJGXSJCTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-6-13-7-9-14(10-8-13)16-12(3)11(2)15/h7-12,15H,4-6H2,1-3H3.
What are the key properties of 3-(4-butylphenoxy)butan-2-ol?
3-(4-butylphenoxy)butan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenoxy)butan-2-ol is sourced from PubChem (CID 115492969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).