4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol

C18H30O2 — CID 154659185

IUPAC4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol
SMILESCC(CCO)C(C)OC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30O2/c1-14(11-12-19)15(2)20-17(13-18(3,4)5)16-9-7-6-8-10-16/h6-10,14-15,17,19H,11-13H2,1-5H3
InChIKeyLCDCJSRTHMUIPS-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.59
Rot. Bonds7

About 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol

4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol (PubChem CID 154659185) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol.

Molecular Properties

Compound Name4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol
PubChem CID154659185
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol
SMILESCC(CCO)C(C)OC(CC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30O2/c1-14(11-12-19)15(2)20-17(13-18(3,4)5)16-9-7-6-8-10-16/h6-10,14-15,17,19H,11-13H2,1-5H3
InChIKeyLCDCJSRTHMUIPS-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene
CID 149433737
2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
CID 142601392
1-[1-[3,3-dimethyl-1-(3-methylphenyl)butoxy]-3,3-dimethylbutyl]-3-methylbenzene
CID 169096962
[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene
CID 14612801
(2S)-4-methoxy-4-phenyl-2-trimethylsilylbutan-2-ol
CID 102301293
3-phenyl-4-(sulfanylmethoxy)pentan-1-ol
CID 161199778
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
(2R)-2-methoxy-2-phenylethanol
CID 6950345
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
(3,3-dimethyl-1-phenylbutyl)silane
CID 173451973
2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
CID 175069063
2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol
CID 25139963

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol?
The IUPAC name of 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol (CID 154659185) is 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol.
What is the SMILES notation for 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol?
The canonical SMILES for 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol is CC(CCO)C(C)OC(CC(C)(C)C)c1ccccc1.
What is the InChIKey of 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol?
The InChIKey is LCDCJSRTHMUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(11-12-19)15(2)20-17(13-18(3,4)5)16-9-7-6-8-10-16/h6-10,14-15,17,19H,11-13H2,1-5H3.
What are the key properties of 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol?
4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-1-phenylbutoxy)-3-methylpentan-1-ol is sourced from PubChem (CID 154659185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).