1-[2-(hydroxymethoxy)phenyl]propan-2-ol

C10H14O3 — CID 141136769

IUPAC1-[2-(hydroxymethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccccc1OCO
InChIInChI=1S/C10H14O3/c1-8(12)6-9-4-2-3-5-10(9)13-7-11/h2-5,8,11-12H,6-7H2,1H3
InChIKeyKIWBAUZAZNSYIE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.94
Rot. Bonds4

About 1-[2-(hydroxymethoxy)phenyl]propan-2-ol

1-[2-(hydroxymethoxy)phenyl]propan-2-ol (PubChem CID 141136769) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-(hydroxymethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethoxy)phenyl]propan-2-ol
PubChem CID141136769
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-[2-(hydroxymethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1ccccc1OCO
InChIInChI=1S/C10H14O3/c1-8(12)6-9-4-2-3-5-10(9)13-7-11/h2-5,8,11-12H,6-7H2,1H3
InChIKeyKIWBAUZAZNSYIE-UHFFFAOYSA-N
XLogP0.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976
[2-(2-hydroxypropyl)phenyl] prop-2-eneperoxoate
CID 154173395
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117114443
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[2-(hydroxymethoxy)phenyl]propan-2-ol (CID 141136769) is 1-[2-(hydroxymethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(hydroxymethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-(hydroxymethoxy)phenyl]propan-2-ol is CC(O)Cc1ccccc1OCO.
What is the InChIKey of 1-[2-(hydroxymethoxy)phenyl]propan-2-ol?
The InChIKey is KIWBAUZAZNSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(12)6-9-4-2-3-5-10(9)13-7-11/h2-5,8,11-12H,6-7H2,1H3.
What are the key properties of 1-[2-(hydroxymethoxy)phenyl]propan-2-ol?
1-[2-(hydroxymethoxy)phenyl]propan-2-ol has a molecular weight of 182.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 141136769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).