[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol

C18H15BrO2 — CID 45371588

IUPAC[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1ccc2ccccc2c1
InChIInChI=1S/C18H15BrO2/c19-17-7-8-18(16(10-17)11-20)21-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,20H,11-12H2
InChIKeyXJTQOVKXDINSQX-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.67
Rot. Bonds4

About [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol

[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol (PubChem CID 45371588) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
PubChem CID45371588
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1ccc2ccccc2c1
InChIInChI=1S/C18H15BrO2/c19-17-7-8-18(16(10-17)11-20)21-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,20H,11-12H2
InChIKeyXJTQOVKXDINSQX-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 112630832
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CID 78993100
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 2440173
[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol
CID 43505743
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869592
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
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[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol (CID 45371588) is [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol is OCc1cc(Br)ccc1OCc1ccc2ccccc2c1.
What is the InChIKey of [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol?
The InChIKey is XJTQOVKXDINSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c19-17-7-8-18(16(10-17)11-20)21-12-13-5-6-14-3-1-2-4-15(14)9-13/h1-10,20H,11-12H2.
What are the key properties of [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol?
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol has a molecular weight of 343.22 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 45371588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).