6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

C19H21BrO — CID 63632383

IUPAC6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1cc(C)cc(CC2(O)CCc3cc(Br)ccc3C2)c1
InChIInChI=1S/C19H21BrO/c1-13-7-14(2)9-15(8-13)11-19(21)6-5-16-10-18(20)4-3-17(16)12-19/h3-4,7-10,21H,5-6,11-12H2,1-2H3
InChIKeyYLLGICOCVYEYBA-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.53
Rot. Bonds2

About 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 63632383) has the molecular formula C19H21BrO and a molecular weight of 345.28 g/mol. Its IUPAC name is 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID63632383
Molecular FormulaC19H21BrO
Molecular Weight345.28 g/mol
Exact Mass344.08
IUPAC Name6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1cc(C)cc(CC2(O)CCc3cc(Br)ccc3C2)c1
InChIInChI=1S/C19H21BrO/c1-13-7-14(2)9-15(8-13)11-19(21)6-5-16-10-18(20)4-3-17(16)12-19/h3-4,7-10,21H,5-6,11-12H2,1-2H3
InChIKeyYLLGICOCVYEYBA-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 63632383) is 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is Cc1cc(C)cc(CC2(O)CCc3cc(Br)ccc3C2)c1.
What is the InChIKey of 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is YLLGICOCVYEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO/c1-13-7-14(2)9-15(8-13)11-19(21)6-5-16-10-18(20)4-3-17(16)12-19/h3-4,7-10,21H,5-6,11-12H2,1-2H3.
What are the key properties of 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 345.28 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 63632383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).