3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol

C14H13BrO2 — CID 56955003

IUPAC3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol
SMILESC=CCc1c(Br)c(OC)c2ccccc2c1O
InChIInChI=1S/C14H13BrO2/c1-3-6-11-12(15)14(17-2)10-8-5-4-7-9(10)13(11)16/h3-5,7-8,16H,1,6H2,2H3
InChIKeyTUHBYGMJDLDNNE-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.05
Rot. Bonds3

About 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol

3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol (PubChem CID 56955003) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol.

Molecular Properties

Compound Name3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol
PubChem CID56955003
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol
SMILESC=CCc1c(Br)c(OC)c2ccccc2c1O
InChIInChI=1S/C14H13BrO2/c1-3-6-11-12(15)14(17-2)10-8-5-4-7-9(10)13(11)16/h3-5,7-8,16H,1,6H2,2H3
InChIKeyTUHBYGMJDLDNNE-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3-bromo-1,4-dimethoxynaphthalen-2-yl)pent-4-en-2-ol
CID 101439274
(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol
CID 10518090
2-(3-bromo-1,4-dimethoxynaphthalen-2-yl)acetaldehyde
CID 10380614
3-methoxy-1-prop-2-enylnaphthalen-2-ol
CID 130034062
2-methyl-3-prop-2-enylnaphthalene-1,4-diol;sulfuric acid
CID 174454080
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
CID 46910681
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
CID 142702525
4-hydroxy-3-prop-2-enylchromen-2-one
CID 54710499
2-methoxy-3-methyl-6-prop-2-enylphenol
CID 130034718
3-methoxy-7-phenyl-1-prop-2-enylnaphthalen-2-ol
CID 138978939

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol?
The IUPAC name of 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol (CID 56955003) is 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol.
What is the SMILES notation for 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol?
The canonical SMILES for 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol is C=CCc1c(Br)c(OC)c2ccccc2c1O.
What is the InChIKey of 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol?
The InChIKey is TUHBYGMJDLDNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-3-6-11-12(15)14(17-2)10-8-5-4-7-9(10)13(11)16/h3-5,7-8,16H,1,6H2,2H3.
What are the key properties of 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol?
3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol has a molecular weight of 293.16 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-2-prop-2-enylnaphthalen-1-ol is sourced from PubChem (CID 56955003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).