3-methyl-3-phenoxybutan-1-ol

C11H16O2 — CID 59317089

IUPAC3-methyl-3-phenoxybutan-1-ol
SMILESCC(C)(CCO)Oc1ccccc1
InChIInChI=1S/C11H16O2/c1-11(2,8-9-12)13-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyFZQRNAUORMKLKG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.23
Rot. Bonds4

About 3-methyl-3-phenoxybutan-1-ol

3-methyl-3-phenoxybutan-1-ol (PubChem CID 59317089) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-3-phenoxybutan-1-ol.

Molecular Properties

Compound Name3-methyl-3-phenoxybutan-1-ol
PubChem CID59317089
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-methyl-3-phenoxybutan-1-ol
SMILESCC(C)(CCO)Oc1ccccc1
InChIInChI=1S/C11H16O2/c1-11(2,8-9-12)13-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyFZQRNAUORMKLKG-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol
CID 139638560
3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
CID 142891336
3-methyl-3-pyridin-4-yloxybutan-1-ol
CID 139639068
3-methyl-3-(4-methylsulfonylphenoxy)butan-1-ol
CID 139638640
3-[3-(4-amino-2,4-dimethylpentan-2-yl)phenoxy]-3-methylbutan-1-ol
CID 167255420
1-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]-3,4-bis(phenylsulfanyl)pyrrole-2,5-dione
CID 139542633
2,4-dimethyl-4-phenoxypentan-2-amine
CID 91544651
methyl 4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfonate
CID 139638904
3-(4-ethylsulfinylphenoxy)-3-methylbutan-1-ol
CID 139639259
(3-methyl-3-phenoxybutoxy)methylbenzene
CID 59317010
N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 134534514
(3-methyl-3-phenoxybutyl) methanesulfonate
CID 59317059

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenoxybutan-1-ol?
The IUPAC name of 3-methyl-3-phenoxybutan-1-ol (CID 59317089) is 3-methyl-3-phenoxybutan-1-ol.
What is the SMILES notation for 3-methyl-3-phenoxybutan-1-ol?
The canonical SMILES for 3-methyl-3-phenoxybutan-1-ol is CC(C)(CCO)Oc1ccccc1.
What is the InChIKey of 3-methyl-3-phenoxybutan-1-ol?
The InChIKey is FZQRNAUORMKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2,8-9-12)13-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 3-methyl-3-phenoxybutan-1-ol?
3-methyl-3-phenoxybutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenoxybutan-1-ol is sourced from PubChem (CID 59317089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).