(4-methylphenyl)-propan-2-yloxymethanol

C11H16O2 — CID 148608067

IUPAC(4-methylphenyl)-propan-2-yloxymethanol
SMILESCc1ccc(C(O)OC(C)C)cc1
InChIInChI=1S/C11H16O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3
InChIKeyNDUZZDBKGCAGNS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.41
Rot. Bonds3

About (4-methylphenyl)-propan-2-yloxymethanol

(4-methylphenyl)-propan-2-yloxymethanol (PubChem CID 148608067) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4-methylphenyl)-propan-2-yloxymethanol.

Molecular Properties

Compound Name(4-methylphenyl)-propan-2-yloxymethanol
PubChem CID148608067
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4-methylphenyl)-propan-2-yloxymethanol
SMILESCc1ccc(C(O)OC(C)C)cc1
InChIInChI=1S/C11H16O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3
InChIKeyNDUZZDBKGCAGNS-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-1-propan-2-yloxyethyl)-4-methylbenzene
CID 62113839
(4-methylphenyl)-propoxymethanol
CID 142200249
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
amino-(4-methylphenyl)methanol
CID 70304176
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
[(3R,4R)-3,4-dihydroxy-2-propan-2-yloxypentyl] 4-methylbenzenesulfonate
CID 89360381
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
4-[[(4-hydroxyphenyl)-(4-methylphenyl)methoxy]-(4-methylphenyl)methyl]phenol
CID 22925884
(1S,3R)-1-(4-methylphenyl)butane-1,3-diol
CID 101168301
1-[(E)-2,3-dichloro-1,4,4-tris(4-methylphenyl)but-2-enyl]-4-methylbenzene
CID 134884797
propan-2-yl 2-[hydroxy-(4-methylphenyl)methyl]prop-2-enoate
CID 15507734
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-propan-2-yloxymethanol?
The IUPAC name of (4-methylphenyl)-propan-2-yloxymethanol (CID 148608067) is (4-methylphenyl)-propan-2-yloxymethanol.
What is the SMILES notation for (4-methylphenyl)-propan-2-yloxymethanol?
The canonical SMILES for (4-methylphenyl)-propan-2-yloxymethanol is Cc1ccc(C(O)OC(C)C)cc1.
What is the InChIKey of (4-methylphenyl)-propan-2-yloxymethanol?
The InChIKey is NDUZZDBKGCAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8,11-12H,1-3H3.
What are the key properties of (4-methylphenyl)-propan-2-yloxymethanol?
(4-methylphenyl)-propan-2-yloxymethanol has a molecular weight of 180.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-propan-2-yloxymethanol is sourced from PubChem (CID 148608067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).