6-bromo-7-phenylmethoxynaphthalen-2-ol

C17H13BrO2 — CID 74892820

IUPAC6-bromo-7-phenylmethoxynaphthalen-2-ol
SMILESOc1ccc2cc(Br)c(OCc3ccccc3)cc2c1
InChIInChI=1S/C17H13BrO2/c18-16-9-13-6-7-15(19)8-14(13)10-17(16)20-11-12-4-2-1-3-5-12/h1-10,19H,11H2
InChIKeyYHRCPQNCRQLBGB-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.89
Rot. Bonds3

About 6-bromo-7-phenylmethoxynaphthalen-2-ol

6-bromo-7-phenylmethoxynaphthalen-2-ol (PubChem CID 74892820) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 6-bromo-7-phenylmethoxynaphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-7-phenylmethoxynaphthalen-2-ol
PubChem CID74892820
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name6-bromo-7-phenylmethoxynaphthalen-2-ol
SMILESOc1ccc2cc(Br)c(OCc3ccccc3)cc2c1
InChIInChI=1S/C17H13BrO2/c18-16-9-13-6-7-15(19)8-14(13)10-17(16)20-11-12-4-2-1-3-5-12/h1-10,19H,11H2
InChIKeyYHRCPQNCRQLBGB-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13351910
2-Bromo-6-ethoxynaphthalene
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CID 378883
2-(6-Bromo-2-naphthoxy)tetrahydropyran
CID 3658100
2-Bromo-6-butoxynaphthalene
CID 3798414
6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene
CID 162654197
2-(Allyloxy)-6-bromonaphthalene
CID 272210
1-Bromo-2-allyloxynaphthalene
CID 2268924
7-(Benzyloxy)naphthalen-2-ol
CID 2763818
1-Bromo-2-ethoxynaphthalene
CID 10966944
2-Bromo-5-methoxynaphthalen-1-ol
CID 14765348
3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene
CID 135067953

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-phenylmethoxynaphthalen-2-ol?
The IUPAC name of 6-bromo-7-phenylmethoxynaphthalen-2-ol (CID 74892820) is 6-bromo-7-phenylmethoxynaphthalen-2-ol.
What is the SMILES notation for 6-bromo-7-phenylmethoxynaphthalen-2-ol?
The canonical SMILES for 6-bromo-7-phenylmethoxynaphthalen-2-ol is Oc1ccc2cc(Br)c(OCc3ccccc3)cc2c1.
What is the InChIKey of 6-bromo-7-phenylmethoxynaphthalen-2-ol?
The InChIKey is YHRCPQNCRQLBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c18-16-9-13-6-7-15(19)8-14(13)10-17(16)20-11-12-4-2-1-3-5-12/h1-10,19H,11H2.
What are the key properties of 6-bromo-7-phenylmethoxynaphthalen-2-ol?
6-bromo-7-phenylmethoxynaphthalen-2-ol has a molecular weight of 329.19 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-phenylmethoxynaphthalen-2-ol is sourced from PubChem (CID 74892820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).