1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol

C14H22O2 — CID 66629628

IUPAC1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol
SMILESCCCC(O)c1ccc(C(C)CCO)cc1
InChIInChI=1S/C14H22O2/c1-3-4-14(16)13-7-5-12(6-8-13)11(2)9-10-15/h5-8,11,14-16H,3-4,9-10H2,1-2H3
InChIKeyUDRHOGHYQIJCNT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.01
Rot. Bonds6

About 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol

1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol (PubChem CID 66629628) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol.

Molecular Properties

Compound Name1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol
PubChem CID66629628
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol
SMILESCCCC(O)c1ccc(C(C)CCO)cc1
InChIInChI=1S/C14H22O2/c1-3-4-14(16)13-7-5-12(6-8-13)11(2)9-10-15/h5-8,11,14-16H,3-4,9-10H2,1-2H3
InChIKeyUDRHOGHYQIJCNT-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
1-(4-butylphenyl)butan-1-ol
CID 61088483
1-[4-(1-hydroxybutyl)phenyl]-3-methylbutan-1-one
CID 158955383
(1S)-1-(4-iodophenyl)propane-1,3-diol
CID 71066511
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
pentan-2-ylbenzene
CID 17627
1-phenylpropane-1,3-diol
CID 572059
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
ethane;1-ethenyl-4-pentan-2-ylbenzene
CID 178004325
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol?
The IUPAC name of 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol (CID 66629628) is 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol.
What is the SMILES notation for 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol?
The canonical SMILES for 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol is CCCC(O)c1ccc(C(C)CCO)cc1.
What is the InChIKey of 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol?
The InChIKey is UDRHOGHYQIJCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-14(16)13-7-5-12(6-8-13)11(2)9-10-15/h5-8,11,14-16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol?
1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxybutan-2-yl)phenyl]butan-1-ol is sourced from PubChem (CID 66629628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).