[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol

C14H22O3 — CID 54958038

IUPAC[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OCCC(C)(C)C
InChIInChI=1S/C14H22O3/c1-14(2,3)7-8-17-13-9-11(10-15)5-6-12(13)16-4/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyJBXAQMPUVHFTTJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.00
Rot. Bonds5

About [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol

[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol (PubChem CID 54958038) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
PubChem CID54958038
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1OCCC(C)(C)C
InChIInChI=1S/C14H22O3/c1-14(2,3)7-8-17-13-9-11(10-15)5-6-12(13)16-4/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyJBXAQMPUVHFTTJ-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
6-[5-(hydroxymethyl)-2-methoxyphenoxy]-2,2-dimethylhexanenitrile
CID 106712921
N-[[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 61481181
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2,2-dimethylpentanethioamide
CID 107743132
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol?
The IUPAC name of [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol (CID 54958038) is [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol?
The canonical SMILES for [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol is COc1ccc(CO)cc1OCCC(C)(C)C.
What is the InChIKey of [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol?
The InChIKey is JBXAQMPUVHFTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-14(2,3)7-8-17-13-9-11(10-15)5-6-12(13)16-4/h5-6,9,15H,7-8,10H2,1-4H3.
What are the key properties of [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol?
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol is sourced from PubChem (CID 54958038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).