1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol

C17H28O2 — CID 82184926

IUPAC1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
SMILESCCCCOc1ccc(CCC(O)C(C)(C)C)cc1
InChIInChI=1S/C17H28O2/c1-5-6-13-19-15-10-7-14(8-11-15)9-12-16(18)17(2,3)4/h7-8,10-11,16,18H,5-6,9,12-13H2,1-4H3
InChIKeyUZDBYWNLPGVHRD-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.21
Rot. Bonds7

About 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol

1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol (PubChem CID 82184926) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
PubChem CID82184926
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
SMILESCCCCOc1ccc(CCC(O)C(C)(C)C)cc1
InChIInChI=1S/C17H28O2/c1-5-6-13-19-15-10-7-14(8-11-15)9-12-16(18)17(2,3)4/h7-8,10-11,16,18H,5-6,9,12-13H2,1-4H3
InChIKeyUZDBYWNLPGVHRD-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
5-(4-heptoxyphenyl)-3-methylpentan-2-ol
CID 143147990
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
1-butoxy-4-(3,3-dimethylbutyl)benzene
CID 167030877
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid
CID 22618800
4-amino-1-(4-hexoxyphenyl)heptan-3-ol
CID 83932758
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
1-(4-butoxyphenyl)-3-(3-hydroxy-4,4-dimethylpentyl)urea
CID 90523657
2-[2-(4-pentoxyphenyl)ethyl]guanidine
CID 161155288
4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
CID 19885187
4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
CID 112689131

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol (CID 82184926) is 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol is CCCCOc1ccc(CCC(O)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol?
The InChIKey is UZDBYWNLPGVHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-6-13-19-15-10-7-14(8-11-15)9-12-16(18)17(2,3)4/h7-8,10-11,16,18H,5-6,9,12-13H2,1-4H3.
What are the key properties of 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol?
1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 82184926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).