6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol

C14H19BrO — CID 63632719

IUPAC6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC(C)CC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H19BrO/c1-10(2)8-14(16)6-5-11-7-13(15)4-3-12(11)9-14/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyKFKWUDDCTSTEEL-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.71
Rot. Bonds2

About 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 63632719) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID63632719
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC(C)CC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H19BrO/c1-10(2)8-14(16)6-5-11-7-13(15)4-3-12(11)9-14/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyKFKWUDDCTSTEEL-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 63632719) is 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol is CC(C)CC1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is KFKWUDDCTSTEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-10(2)8-14(16)6-5-11-7-13(15)4-3-12(11)9-14/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 283.21 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 63632719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).