6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol

C17H15BrO — CID 91289776

IUPAC6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(Cc1ccc(Br)cc1)=C2
InChIInChI=1S/C17H15BrO/c18-16-6-2-12(3-7-16)9-13-1-4-15-11-17(19)8-5-14(15)10-13/h2-3,5-8,10-11,19H,1,4,9H2
InChIKeySRQCVCNCPOMEFA-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.73
Rot. Bonds2

About 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol

6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol (PubChem CID 91289776) has the molecular formula C17H15BrO and a molecular weight of 315.21 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol
PubChem CID91289776
Molecular FormulaC17H15BrO
Molecular Weight315.21 g/mol
Exact Mass314.03
IUPAC Name6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(Cc1ccc(Br)cc1)=C2
InChIInChI=1S/C17H15BrO/c18-16-6-2-12(3-7-16)9-13-1-4-15-11-17(19)8-5-14(15)10-13/h2-3,5-8,10-11,19H,1,4,9H2
InChIKeySRQCVCNCPOMEFA-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-(cyclobuten-1-ylmethyl)benzene
CID 71773311
2-(methylaminomethyl)-3H-inden-5-ol
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6-[1-(methylamino)ethyl]-7,8-dihydronaphthalen-2-ol
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(7-bromo-3,4-dihydronaphthalen-2-yl)methanamine
CID 83842648
5-[(4-hydroxyphenyl)methyl]-7,8-dihydronaphthalen-2-ol
CID 125487184
6-(3,5-difluoro-4-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 25265425
3-(6-chloro-3,4-dihydronaphthalen-2-yl)propanoic acid
CID 174447979
13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol
CID 20537450
1-[(4-hydroxyphenyl)methyl]-1-methyl-2,3-dihydroinden-5-ol
CID 162670528
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
(3-bromo-8,9-dihydro-7H-benzo[7]annulen-6-yl)methanol
CID 71061309
3-[(4-bromophenyl)methyl]cyclohept-2-en-1-amine
CID 107383273

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol?
The IUPAC name of 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol (CID 91289776) is 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol.
What is the SMILES notation for 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol?
The canonical SMILES for 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol is Oc1ccc2c(c1)CCC(Cc1ccc(Br)cc1)=C2.
What is the InChIKey of 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol?
The InChIKey is SRQCVCNCPOMEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO/c18-16-6-2-12(3-7-16)9-13-1-4-15-11-17(19)8-5-14(15)10-13/h2-3,5-8,10-11,19H,1,4,9H2.
What are the key properties of 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol?
6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol has a molecular weight of 315.21 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl]-7,8-dihydronaphthalen-2-ol is sourced from PubChem (CID 91289776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).