[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol

C17H17BrO3 — CID 104768732

IUPAC[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2CCOc3ccccc32)c(Br)c1
InChIInChI=1S/C17H17BrO3/c18-15-9-12(10-19)5-6-17(15)21-11-13-7-8-20-16-4-2-1-3-14(13)16/h1-6,9,13,19H,7-8,10-11H2
InChIKeyGIGGXLAEXRZIBO-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.89
Rot. Bonds4

About [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol

[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol (PubChem CID 104768732) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
PubChem CID104768732
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2CCOc3ccccc32)c(Br)c1
InChIInChI=1S/C17H17BrO3/c18-15-9-12(10-19)5-6-17(15)21-11-13-7-8-20-16-4-2-1-3-14(13)16/h1-6,9,13,19H,7-8,10-11H2
InChIKeyGIGGXLAEXRZIBO-UHFFFAOYSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768778
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
CID 107698362
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768072
[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79226329
4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768530
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
4-[[3-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768779
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768773
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol (CID 104768732) is [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol is OCc1ccc(OCC2CCOc3ccccc32)c(Br)c1.
What is the InChIKey of [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol?
The InChIKey is GIGGXLAEXRZIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c18-15-9-12(10-19)5-6-17(15)21-11-13-7-8-20-16-4-2-1-3-14(13)16/h1-6,9,13,19H,7-8,10-11H2.
What are the key properties of [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol?
[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol has a molecular weight of 349.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 104768732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).