[3-(cyclopropylmethoxymethoxy)phenyl]methanol

C12H16O3 — CID 106929767

IUPAC[3-(cyclopropylmethoxymethoxy)phenyl]methanol
SMILESOCc1cccc(OCOCC2CC2)c1
InChIInChI=1S/C12H16O3/c13-7-11-2-1-3-12(6-11)15-9-14-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9H2
InChIKeyXYWIZFRVTXPNHB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.94
Rot. Bonds6

About [3-(cyclopropylmethoxymethoxy)phenyl]methanol

[3-(cyclopropylmethoxymethoxy)phenyl]methanol (PubChem CID 106929767) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethoxy)phenyl]methanol
PubChem CID106929767
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[3-(cyclopropylmethoxymethoxy)phenyl]methanol
SMILESOCc1cccc(OCOCC2CC2)c1
InChIInChI=1S/C12H16O3/c13-7-11-2-1-3-12(6-11)15-9-14-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9H2
InChIKeyXYWIZFRVTXPNHB-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethoxymethoxy)aniline
CID 106928946
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929795
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329
[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methanol
CID 106931186
1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine
CID 106930535
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837
[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
CID 106929822
(3-cyclopropyloxyphenyl)methanol
CID 57336629
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethoxy)phenyl]methanol?
The IUPAC name of [3-(cyclopropylmethoxymethoxy)phenyl]methanol (CID 106929767) is [3-(cyclopropylmethoxymethoxy)phenyl]methanol.
What is the SMILES notation for [3-(cyclopropylmethoxymethoxy)phenyl]methanol?
The canonical SMILES for [3-(cyclopropylmethoxymethoxy)phenyl]methanol is OCc1cccc(OCOCC2CC2)c1.
What is the InChIKey of [3-(cyclopropylmethoxymethoxy)phenyl]methanol?
The InChIKey is XYWIZFRVTXPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-7-11-2-1-3-12(6-11)15-9-14-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9H2.
What are the key properties of [3-(cyclopropylmethoxymethoxy)phenyl]methanol?
[3-(cyclopropylmethoxymethoxy)phenyl]methanol has a molecular weight of 208.26 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethoxy)phenyl]methanol is sourced from PubChem (CID 106929767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).