[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol

C12H15BrO3 — CID 106929795

IUPAC[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
SMILESOCc1ccc(OCOCC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrO3/c13-11-5-10(6-14)3-4-12(11)16-8-15-7-9-1-2-9/h3-5,9,14H,1-2,6-8H2
InChIKeyVLFPUIFFPMJETC-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.70
Rot. Bonds6

About [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol

[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol (PubChem CID 106929795) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
PubChem CID106929795
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
SMILESOCc1ccc(OCOCC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrO3/c13-11-5-10(6-14)3-4-12(11)16-8-15-7-9-1-2-9/h3-5,9,14H,1-2,6-8H2
InChIKeyVLFPUIFFPMJETC-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.70
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)phenyl]methanol
CID 106929767
1,3-dibromo-5-(bromomethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 107745625
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460986
2-bromo-1-(cyclopropylmethoxy)-4-(methylsulfanylmethyl)benzene
CID 139341709
[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
CID 106929822
[3-(cyclopropylmethoxymethyl)-4-methoxyphenyl]methanol
CID 62017661
1-[3,5-dibromo-4-(cyclopropylmethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741896
3-[2-bromo-4-(hydroxymethyl)phenoxy]propan-1-ol
CID 63050271
(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
1-bromo-5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-3-methoxybenzene
CID 106929890

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol (CID 106929795) is [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol is OCc1ccc(OCOCC2CC2)c(Br)c1.
What is the InChIKey of [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol?
The InChIKey is VLFPUIFFPMJETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c13-11-5-10(6-14)3-4-12(11)16-8-15-7-9-1-2-9/h3-5,9,14H,1-2,6-8H2.
What are the key properties of [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol?
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol has a molecular weight of 287.15 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol is sourced from PubChem (CID 106929795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).