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

C14H19BrO2 — CID 79567932

IUPAC6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCOCC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H19BrO2/c1-2-7-17-10-14(16)6-5-11-8-13(15)4-3-12(11)9-14/h3-4,8,16H,2,5-7,9-10H2,1H3
InChIKeySUVVUDHFKCNXAB-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.10
Rot. Bonds4

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

6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 79567932) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID79567932
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCOCC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H19BrO2/c1-2-7-17-10-14(16)6-5-11-8-13(15)4-3-12(11)9-14/h3-4,8,16H,2,5-7,9-10H2,1H3
InChIKeySUVVUDHFKCNXAB-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 79567932) is 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol is CCCOCC1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is SUVVUDHFKCNXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-2-7-17-10-14(16)6-5-11-8-13(15)4-3-12(11)9-14/h3-4,8,16H,2,5-7,9-10H2,1H3.
What are the key properties of 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 299.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 79567932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).