8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol

C12H15BrO — CID 115010739

IUPAC8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol
SMILESCC1(C)c2c(Br)cccc2CCC1O
InChIInChI=1S/C12H15BrO/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5,10,14H,6-7H2,1-2H3
InChIKeyZMBYJOJLEQEEFX-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.03
Rot. Bonds

About 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol

8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol (PubChem CID 115010739) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol
PubChem CID115010739
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol
SMILESCC1(C)c2c(Br)cccc2CCC1O
InChIInChI=1S/C12H15BrO/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5,10,14H,6-7H2,1-2H3
InChIKeyZMBYJOJLEQEEFX-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
8-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-ol
CID 115010719
1,1,7-trimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010757
5-bromo-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 167736870
2-(5-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057405
(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142027727
(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 84729237
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 68877054
methyl (2S)-5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 70230270
2-(8-chloro-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057193
8-bromospiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]
CID 115042448
1-methyl-2,3-dihydroindene-1,7-diol
CID 175232410

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol?
The IUPAC name of 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol (CID 115010739) is 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol.
What is the SMILES notation for 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol?
The canonical SMILES for 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol is CC1(C)c2c(Br)cccc2CCC1O.
What is the InChIKey of 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol?
The InChIKey is ZMBYJOJLEQEEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-12(2)10(14)7-6-8-4-3-5-9(13)11(8)12/h3-5,10,14H,6-7H2,1-2H3.
What are the key properties of 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol?
8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol has a molecular weight of 255.15 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol is sourced from PubChem (CID 115010739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).