2-[(4-bromophenyl)methyl]naphthalen-1-ol

C17H13BrO — CID 15617869

IUPAC2-[(4-bromophenyl)methyl]naphthalen-1-ol
SMILESOc1c(Cc2ccc(Br)cc2)ccc2ccccc12
InChIInChI=1S/C17H13BrO/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-10,19H,11H2
InChIKeySUMZRFZVYOPDSE-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.90
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]naphthalen-1-ol

2-[(4-bromophenyl)methyl]naphthalen-1-ol (PubChem CID 15617869) has the molecular formula C17H13BrO and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]naphthalen-1-ol
PubChem CID15617869
Molecular FormulaC17H13BrO
Molecular Weight313.19 g/mol
Exact Mass312.01
IUPAC Name2-[(4-bromophenyl)methyl]naphthalen-1-ol
SMILESOc1c(Cc2ccc(Br)cc2)ccc2ccccc12
InChIInChI=1S/C17H13BrO/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-10,19H,11H2
InChIKeySUMZRFZVYOPDSE-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

2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
2-[(4-bromophenyl)diazenyl]naphthalen-1-ol
CID 3802677
2-[[3-(hydroxymethyl)-2-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 71342974
2-bromonaphthalen-1-ol;methoxymethane
CID 174734204
2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
CID 175235965
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840
2-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(1-hydroxynaphthalen-2-yl)methyl]phenyl]propan-2-yl]-3-[(1-hydroxynaphthalen-2-yl)methyl]phenyl]methyl]naphthalen-1-ol
CID 129291813
2-(1-hydroxynaphthalen-2-yl)acetamide;hydrochloride
CID 161067432
2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone
CID 81430854
3-bromoanthracen-9-ol
CID 23035853

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]naphthalen-1-ol (CID 15617869) is 2-[(4-bromophenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]naphthalen-1-ol is Oc1c(Cc2ccc(Br)cc2)ccc2ccccc12.
What is the InChIKey of 2-[(4-bromophenyl)methyl]naphthalen-1-ol?
The InChIKey is SUMZRFZVYOPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-10,19H,11H2.
What are the key properties of 2-[(4-bromophenyl)methyl]naphthalen-1-ol?
2-[(4-bromophenyl)methyl]naphthalen-1-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 2-[(4-bromophenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 15617869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).