1-benzyl-6-bromonaphthalen-2-ol

C17H13BrO — CID 132564991

IUPAC1-benzyl-6-bromonaphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1Cc1ccccc1
InChIInChI=1S/C17H13BrO/c18-14-7-8-15-13(11-14)6-9-17(19)16(15)10-12-4-2-1-3-5-12/h1-9,11,19H,10H2
InChIKeyNLAUAUBOCPWTJJ-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.90
Rot. Bonds2

About 1-benzyl-6-bromonaphthalen-2-ol

1-benzyl-6-bromonaphthalen-2-ol (PubChem CID 132564991) has the molecular formula C17H13BrO and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-benzyl-6-bromonaphthalen-2-ol.

Molecular Properties

Compound Name1-benzyl-6-bromonaphthalen-2-ol
PubChem CID132564991
Molecular FormulaC17H13BrO
Molecular Weight313.19 g/mol
Exact Mass312.01
IUPAC Name1-benzyl-6-bromonaphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1Cc1ccccc1
InChIInChI=1S/C17H13BrO/c18-14-7-8-15-13(11-14)6-9-17(19)16(15)10-12-4-2-1-3-5-12/h1-9,11,19H,10H2
InChIKeyNLAUAUBOCPWTJJ-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(4-benzhydrylpiperazin-1-yl)methyl]-6-bromonaphthalen-2-ol
CID 2419105
6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol
CID 2406663
6-bromo-1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
CID 2480255
(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium
CID 9318619
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
(3-benzyl-1,6-dibromonaphthalen-2-yl) hypoiodite
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3-bromoanthracen-9-ol
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(2-bromoanthracen-9-yl)methanol
CID 87382861
1-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7999606

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromonaphthalen-2-ol?
The IUPAC name of 1-benzyl-6-bromonaphthalen-2-ol (CID 132564991) is 1-benzyl-6-bromonaphthalen-2-ol.
What is the SMILES notation for 1-benzyl-6-bromonaphthalen-2-ol?
The canonical SMILES for 1-benzyl-6-bromonaphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-bromonaphthalen-2-ol?
The InChIKey is NLAUAUBOCPWTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO/c18-14-7-8-15-13(11-14)6-9-17(19)16(15)10-12-4-2-1-3-5-12/h1-9,11,19H,10H2.
What are the key properties of 1-benzyl-6-bromonaphthalen-2-ol?
1-benzyl-6-bromonaphthalen-2-ol has a molecular weight of 313.19 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-bromonaphthalen-2-ol is sourced from PubChem (CID 132564991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).