[2-(2-propan-2-yloxyethoxy)phenyl]methanol

C12H18O3 — CID 28945937

IUPAC[2-(2-propan-2-yloxyethoxy)phenyl]methanol
SMILESCC(C)OCCOc1ccccc1CO
InChIInChI=1S/C12H18O3/c1-10(2)14-7-8-15-12-6-4-3-5-11(12)9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyYAKZZGIYNDAIFY-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.98
Rot. Bonds6

About [2-(2-propan-2-yloxyethoxy)phenyl]methanol

[2-(2-propan-2-yloxyethoxy)phenyl]methanol (PubChem CID 28945937) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [2-(2-propan-2-yloxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-propan-2-yloxyethoxy)phenyl]methanol
PubChem CID28945937
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[2-(2-propan-2-yloxyethoxy)phenyl]methanol
SMILESCC(C)OCCOc1ccccc1CO
InChIInChI=1S/C12H18O3/c1-10(2)14-7-8-15-12-6-4-3-5-11(12)9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyYAKZZGIYNDAIFY-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
CID 80741080
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
[2-(3,3-diethoxypropoxy)phenyl]methanol
CID 63654292
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
[4-(2-propan-2-yloxyethoxy)-3-pyridinyl]methanol
CID 81237043
[3-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 105067127
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
N-[[2-[2-(2-propan-2-yloxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455414
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
(2-octoxyphenyl)methanol
CID 43128604

Frequently Asked Questions

What is the IUPAC name of [2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The IUPAC name of [2-(2-propan-2-yloxyethoxy)phenyl]methanol (CID 28945937) is [2-(2-propan-2-yloxyethoxy)phenyl]methanol.
What is the SMILES notation for [2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The canonical SMILES for [2-(2-propan-2-yloxyethoxy)phenyl]methanol is CC(C)OCCOc1ccccc1CO.
What is the InChIKey of [2-(2-propan-2-yloxyethoxy)phenyl]methanol?
The InChIKey is YAKZZGIYNDAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(2)14-7-8-15-12-6-4-3-5-11(12)9-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of [2-(2-propan-2-yloxyethoxy)phenyl]methanol?
[2-(2-propan-2-yloxyethoxy)phenyl]methanol has a molecular weight of 210.27 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propan-2-yloxyethoxy)phenyl]methanol is sourced from PubChem (CID 28945937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).